天堂网亚洲,天天操天天搞,91视频高清,菠萝蜜视频在线观看入口,美女视频性感美女视频,95丝袜美女视频国产,超高清美女视频图片

Home Cart 0 Sign in  

[ CAS No. 1214336-90-9 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1214336-90-9
Chemical Structure| 1214336-90-9
Structure of 1214336-90-9 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 1214336-90-9 ]

Related Doc. of [ 1214336-90-9 ]

Alternatived Products of [ 1214336-90-9 ]
Product Citations

Product Details of [ 1214336-90-9 ]

CAS No. :1214336-90-9 MDL No. :MFCD14702306
Formula : C6H2BrF3N2O2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :MJTPNVWLMZFFIU-UHFFFAOYSA-N
M.W : 270.99 Pubchem ID :46315200
Synonyms :

Calculated chemistry of [ 1214336-90-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.17
Num. rotatable bonds : 2
Num. H-bond acceptors : 6.0
Num. H-bond donors : 0.0
Molar Refractivity : 45.76
TPSA : 58.71 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.11 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.22
Log Po/w (XLOGP3) : 2.59
Log Po/w (WLOGP) : 3.92
Log Po/w (MLOGP) : 1.95
Log Po/w (SILICOS-IT) : 1.01
Consensus Log Po/w : 2.14

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.34
Solubility : 0.125 mg/ml ; 0.00046 mol/l
Class : Soluble
Log S (Ali) : -3.47
Solubility : 0.0915 mg/ml ; 0.000337 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.14
Solubility : 0.195 mg/ml ; 0.000718 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 3.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.26

Safety of [ 1214336-90-9 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1214336-90-9 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 1214336-90-9 ]

[ 1214336-90-9 ] Synthesis Path-Downstream   1~12

  • 1
  • [ 33252-64-1 ]
  • [ 1214336-90-9 ]
YieldReaction ConditionsOperation in experiment
Intermediate A1: 2-Bromo-3-nitro-5-trifluoromethyl-pyridine3-Nitro-5-(trifluoromethyl)pyridin-2-ol (31.00 g, 149 mmol) was dissolved in acetonitrile (250 ml) to give a dark brown solution. Phosphorus(V) oxybromide (85 g, 298 mmol) was added and the mixture was heated at reflux for 4.5 hours and then stirred at RT overnight. The reaction mixture was quenched by pouring into vigorously stirring water (600 ml) containing sodium hydrogencarbonate (110 g). The dark brown mixture was extracted with DCM (3×200 ml) and the organic phase was washed with water (200 ml) and brine (100 ml), dried (MgSO4) and concentrated in vacuo to afford the title product as a brown oil. 1H-NMR: [400 MHz, CDCl3, deltaH, 8.87 (1H, d, J=1.4 Hz, ArH), 8.39 (1H, d, J=1.9 Hz, ArH).
With phosphorus(V) oxybromide; In acetonitrile; at 20.0℃;Reflux; 3-Nitro-5-(trifluoromethyl)pyridin-2-ol (31.00 g, 149 mmol) was dissolved in acetonitrile (250 ml) to give a dark brown solution. Phosphorus(V) oxybromide (85 g, 298 mmol) was added and the mixture was heated at reflux for 4 hours and then stirred at RT overnight. The reaction mixture was quenched by pouring into vigorously stirring water (600 ml) containing sodium hydrogencarbonate (1 10 g). The dark brown mixture was extracted with DCM (3 x 200 ml) and the organic phase was washed with water (200 ml) and brine (100ml), dried (MgS04) and concentrated in vacuo to afford the title product as a brown oil. H-NMR: [400MHz, CDCI3, ? 8.87 (1 H, d, J = 1.4Hz, ArH), 8.39 (1 H, d, J = 1.9Hz, ArH).
With phosphorus(V) oxybromide; In acetonitrile; at 20.0℃;Reflux; 3-Nitro-5-(trifluoromethyl)pyridin-2-ol (31.00 g, 149 mmol) was dissolved in acetonitrile (250 ml) to give a dark brown solution. Phosphorus(V) oxybromide (85 g, 298 mmol) was added and the mixture was heated at reflux for 4 hours and then stirred at RT overnight. The reaction mixture was quenched by pouring into vigorously stirring water (600 ml) containing sodium hydrogencarbonate (1 10 g). The dark brown mixture was extracted with DCM (3 x 200 ml) and the organic phase was washed with water (200 ml) and brine (100ml), dried (MgS04) and concentrated under reduced pressure to afford the title product as a brown oil. H-NMR: [400MHz, CDCI3, ? 8.87 (1 H, d, J = 1.4Hz, ArH), 8.39 (1 H, d, J = 1 .9Hz, ArH).
With phosphorus(V) oxybromide; In acetonitrile; at 20.0℃;Reflux; 3-Nitro-5-(trifluoromethyl)pyridin-2-ol (31.00 g, 149 mmol) was dissolved in acetonitrile (250 ml) to give a dark brown solution. Phosphorus(V) oxybromide (85 g, 298 mmol) was added and the mixture was heated at reflux for 4 hours and then stirred at RT overnight. The reaction mixture was quenched by pouring into vigorously stirring water (600 ml) containing sodium hydrogencarbonate (1 10 g). The dark brown mixture was extracted with DCM (3 x 200 ml) and the organic phase was washed with water (200 ml) and brine (100ml), dried (MgS04) and concentrated under reduced pressure to afford the title product as a brown oil. H-NMR: [400MHz, CDCI3, ? 8.87 (1 H, d, J = 1.4Hz, ArH), 8.39 (1 H, d, J = 1 .9Hz, ArH).
With phosphorus(V) oxybromide; at 20.0℃;Reflux; 3-Nitro-5-(trifluoromethyl)pyridin-2-ol (31.00 g, 149 mmol) was dissolved in acetonitrile (250 ml) to give a dark brown solution. Phosphorus(V) oxybromide (85 g, 298 mmol) was added and the mixture was heated at reflux for 4 hours and then stirred at RT overnight. The reaction mixture was quenched by pouring into vigorously stirring water (600 ml) containing sodium hydrogencarbonate (1 10 g). The dark brown mixture was extracted with DCM (3 x 200 ml) and the organic phase was washed with water (200 ml) and brine (100ml), dried (MgS04) and concentrated under reduced pressure to afford the title product as a brown oil. H-NMR: [400MHz, CDCI3, ? 8.87 (1 H, d, J = 1.4Hz, ArH), 8.39 (1 H, d, J = 1.9Hz, ArH).
With phosphorus(V) oxybromide; In acetonitrile; at 20.0℃;Reflux; 3-Nitro-5-(trifluoromethyl)pyridin-2-ol (31 .00 g, 149 mmol) was dissolved in acetonitrile (250 ml) to give a dark brown solution. Phosphorus(V) oxybromide (85 g, 298 mmol) was added and the mixture was heated at reflux for 4 hours and then stirred at RT overnight. The reaction mixture was quenched by pouring into vigorously stirring water (600 ml) containing sodium hydrogencarbonate (1 10g). The dark brown mixture was extracted with DCM (3 x 200 ml) and the organic phase was washed with water (200 ml) and brine (100 ml), dried ( MgS04) and concentrated in vacuo to afford the title product as a brown oil. 1H-NMR: [400MHz, CDCI3, deltaEta 8.87 (1 H, d, J = 1.4Hz, ArH), 8.39 (1 H, d, J = 1.9Hz, ArH).
2.44g With phosphorus(V) oxybromide; In acetonitrile; for 16.0h;Reflux; The 3-nitro-5-trifluoro-Methylpyridin-2-ol (q) (3.12g, 15mmol) in acetonitrile (25 ml) was added to solution POBr 3 (8.6g, 30mmol). Refluxed for 4 hours after stirring at room temperature for 12 hours. The reaction solution is poured into the rapidly stirred sodium bicarbonate (11g) aqueous solution (60 ml). Extraction with methylene chloride mixture (3x20ml), organic phase water (20 ml) and saturated sodium chloride solution (10 ml) after washing, drying by anhydrous sodium sulfate, concentrated to obtain the product (r) (2.44g, 9 . 0mmol)

  • 2
  • [ 1214336-90-9 ]
  • copper(l) cyanide [ No CAS ]
  • [ 866775-16-8 ]
YieldReaction ConditionsOperation in experiment
With tetrabutylammomium bromide; In toluene; for 10.0h;Reflux; Intermediate A2: 3-Nitro-5-trifluoromethyl-pyridine-2-carbonitrile<strong>[1214336-90-9]2-Bromo-3-nitro-5-trifluoromethyl-pyridine</strong> (10.00 g, 36.87 mmol) was dissolved in toluene (250 ml) with stirring to give a pale yellow solution. Tetrabutylammonium bromide (11.90 g, 36.9 mmol) was added followed by copper(I) cyanide (9.92 g, 111 mmol) and the mixture was heated at reflux for 10 h. After cooling to RT, the reaction mixture was partitioned between water (750 ml) and EtOAc (750 ml). The organic fractions were combined, washed with water (2×250 ml) and brine (100 ml), dried (MgSO4) and concentrated in vacuo to afford the title product. 1H-NMR: [400 MHz, DMSO-d6 deltaH 9.55 (1H, m, ArH), 9.24 (1H, m, ArH)
With tetrabutylammomium bromide; In toluene; for 9.0h;Reflux; 2- Bromo-3-nitro-5-trifluoromethyl-pyridine (10.00 g, 36.87 mmol) was dissolved in toluene (250 ml) with stirring to give a pale yellow solution. Tetrabutylammonium bromide (11.90 g, 36.9 mmol) was added followed by copper(l) cyanide (9.92 g, 1 1 1 mmol) and the mixture was heated at reflux for 9 h. After cooling to RT, the reaction mixture was partitioned between water (750 ml) and EtOAc (750 ml). The organic fractions were combined, washed with water (2 x 250 ml), brine (100 ml), dried (MgS04) and concentrated under reduced pressure to afford the title product. H-NMR: [400MHz, DMSO-d6] ? 9.55 (1 H, m, ArH), 9.24 (1 H, m, ArH)
With tetrabutylammomium bromide; In toluene; for 9.0h;Reflux; <strong>[1214336-90-9]2-Bromo-3-nitro-5-trifluoromethyl-pyridine</strong> (10.00 g, 36.87 mmol) was dissolved in toluene (250 ml) with stirring to give a pale yellow solution. Tetrabutylammonium bromide (11.90 g, 36.9 mmol) was added followed by copper(l) cyanide (9.92 g, 1 1 1 mmol) and the mixture was heated at reflux for 9 h. After cooling to RT, the reaction mixture was partitioned between water (750 ml) and EtOAc (750 ml). The organic fractions were combined, washed with water (2 x 250 ml), brine (100 ml), dried (MgS04) and concentrated under reduced pressure to afford the title product. H-NMR: [400MHz, DMSO-d6] ? 9.55 (1 H, m, ArH), 9.24 (1 H, m, ArH)
With tetrabutylammomium bromide; In toluene; for 9.0h;Reflux; 2- Bromo-3-nitro-5-trifluoromethyl-pyridine (10.00 g, 36.87 mmol) was dissolved in toluene (250 ml) with stirring to give a pale yellow solution. Tetrabutylammonium bromide (11.90 g, 36.9 mmol) was added followed by copper(l) cyanide (9.92 g, 1 1 1 mmol) and the mixture was heated at reflux for 9 h. After cooling to RT, the reaction mixture was partitioned between water (750 ml) and EtOAc (750 ml). The organic fractions were combined, washed with water (2 x 250 ml), brine (100 ml), dried (MgS04) and concentrated under reduced pressure to afford the title product. H-NMR: [400MHz, DMSO-d6] ? 9.55 (1 H, m, ArH), 9.24 (1 H, m, ArH)
With tetrabutylammomium bromide; In toluene; for 9.0h;Reflux; <strong>[1214336-90-9]2-Bromo-3-nitro-5-trifluoromethyl-pyridine</strong> (10.00 g, 36.87 mmol) was dissolved in toluene (250 ml) with stirring to give a pale yellow solution. Tetrabutylammonium bromide (1 1 .90 g, 36.9 mmol) was added followed by copper(l) cyanide (9.92 g, 1 1 1 mmol) and the mixture was heated at reflux for 9 hrs. After cooling to RT, the reaction mixture was partitioned between water (750 ml) and EtOAc (750 ml). The organic fractions were combined, washed with water (2 x 250ml) and brine (100ml), dried dried (MgS04) and concentrated in vacuo to afford the title product.1 H-N MR: [400MHz, DMSO-de deltaEta 9.55 (1 H, m, ArH), 9.24 (1 H, m, ArH)
1.04g With tetrabutylammomium bromide; In toluene; for 9.0h;Reflux; In the 2-bromo-3-nitro-5-trifluoromethyl pyridine (r) (2.0g, 7 . 37mmol) in toluene (50 ml) solution of tetrabutyl ammonium bromide was added (2.2g, 7 . 37mmol) and also cuprous cyanide (CuCN) (1.98g, 22 . 2mmol), refluxed the reaction for 9 hours. after cooling to room temperature, adding water (150 ml) and ethyl acetate (150 ml) mixed. Organic phase water (2x50ml) and saturated sodium chloride solution (20 ml) after washing, drying by anhydrous sodium sulfate, concentrated to obtain the product (s) (1.04g, 4 . 79mmol).

  • 3
  • [ 1214336-90-9 ]
  • [ 866775-17-9 ]
  • 5
  • [ 1214336-90-9 ]
  • [ 1334546-75-6 ]
  • 6
  • [ 1214336-90-9 ]
  • [ 1334546-31-4 ]
  • 9
  • [ 1214336-90-9 ]
  • [ 1334546-83-6 ]
  • 11
  • [ 1214336-90-9 ]
  • [ 1334546-95-0 ]
  • 12
  • [ 1214336-90-9 ]
  • [ 1334546-93-8 ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 1214336-90-9 ]

Fluorinated Building Blocks

Chemical Structure| 917918-84-4

[ 917918-84-4 ]

2-Bromo-5-fluoro-4-methyl-3-nitropyridine

Similarity: 0.82

Chemical Structure| 1211515-87-5

[ 1211515-87-5 ]

2-Bromo-5-(trifluoromethyl)pyridin-3-amine

Similarity: 0.81

Chemical Structure| 652160-72-0

[ 652160-72-0 ]

2-Bromo-5-fluoro-3-nitropyridine

Similarity: 0.73

Chemical Structure| 72587-15-6

[ 72587-15-6 ]

2-Chloro-3-nitro-5-(trifluoromethyl)pyridine

Similarity: 0.70

Chemical Structure| 50488-42-1

[ 50488-42-1 ]

2-Bromo-5-(trifluoromethyl)pyridine

Similarity: 0.68

Bromides

Chemical Structure| 23056-46-4

[ 23056-46-4 ]

2-Bromo-5-methyl-3-nitropyridine

Similarity: 0.83

Chemical Structure| 917918-84-4

[ 917918-84-4 ]

2-Bromo-5-fluoro-4-methyl-3-nitropyridine

Similarity: 0.82

Chemical Structure| 1211515-87-5

[ 1211515-87-5 ]

2-Bromo-5-(trifluoromethyl)pyridin-3-amine

Similarity: 0.81

Chemical Structure| 23056-45-3

[ 23056-45-3 ]

2-Bromo-4-methyl-3-nitropyridine

Similarity: 0.81

Chemical Structure| 652160-72-0

[ 652160-72-0 ]

2-Bromo-5-fluoro-3-nitropyridine

Similarity: 0.73

Nitroes

Chemical Structure| 23056-46-4

[ 23056-46-4 ]

2-Bromo-5-methyl-3-nitropyridine

Similarity: 0.83

Chemical Structure| 917918-84-4

[ 917918-84-4 ]

2-Bromo-5-fluoro-4-methyl-3-nitropyridine

Similarity: 0.82

Chemical Structure| 23056-45-3

[ 23056-45-3 ]

2-Bromo-4-methyl-3-nitropyridine

Similarity: 0.81

Chemical Structure| 652160-72-0

[ 652160-72-0 ]

2-Bromo-5-fluoro-3-nitropyridine

Similarity: 0.73

Chemical Structure| 72587-15-6

[ 72587-15-6 ]

2-Chloro-3-nitro-5-(trifluoromethyl)pyridine

Similarity: 0.70

Trifluoromethyls

Chemical Structure| 1211515-87-5

[ 1211515-87-5 ]

2-Bromo-5-(trifluoromethyl)pyridin-3-amine

Similarity: 0.81

Chemical Structure| 72587-15-6

[ 72587-15-6 ]

2-Chloro-3-nitro-5-(trifluoromethyl)pyridine

Similarity: 0.70

Chemical Structure| 50488-42-1

[ 50488-42-1 ]

2-Bromo-5-(trifluoromethyl)pyridine

Similarity: 0.68

Chemical Structure| 112110-07-3

[ 112110-07-3 ]

5-(Trifluoromethyl)pyridin-3-amine

Similarity: 0.65

Chemical Structure| 175205-81-9

[ 175205-81-9 ]

2-Bromo-4-(trifluoromethyl)pyridine

Similarity: 0.64

Related Parent Nucleus of
[ 1214336-90-9 ]

Pyridines

Chemical Structure| 23056-46-4

[ 23056-46-4 ]

2-Bromo-5-methyl-3-nitropyridine

Similarity: 0.83

Chemical Structure| 917918-84-4

[ 917918-84-4 ]

2-Bromo-5-fluoro-4-methyl-3-nitropyridine

Similarity: 0.82

Chemical Structure| 1211515-87-5

[ 1211515-87-5 ]

2-Bromo-5-(trifluoromethyl)pyridin-3-amine

Similarity: 0.81

Chemical Structure| 23056-45-3

[ 23056-45-3 ]

2-Bromo-4-methyl-3-nitropyridine

Similarity: 0.81

Chemical Structure| 652160-72-0

[ 652160-72-0 ]

2-Bromo-5-fluoro-3-nitropyridine

Similarity: 0.73

; ;