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. 3537-14-2 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 3537-14-2
Chemical Structure| 3537-14-2
Structure of 3537-14-2 * 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 [ 3537-14-2 ]

Related Doc. of [ 3537-14-2 ]

Alternatived Products of [ 3537-14-2 ]
Product Citations

Product Details of [ 3537-14-2 ]

CAS No. :3537-14-2 MDL No. :MFCD10697697
Formula : C5H6N4O2 Boiling Point : -
Linear Structure Formula :- InChI Key :JOQJNCSAEMIZOU-UHFFFAOYSA-N
M.W : 154.13 Pubchem ID :3480151
Synonyms :

Calculated chemistry of [ 3537-14-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 41.87
TPSA : 110.75 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.49 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.24
Log Po/w (XLOGP3) : -0.35
Log Po/w (WLOGP) : 0.17
Log Po/w (MLOGP) : -1.48
Log Po/w (SILICOS-IT) : -2.13
Consensus Log Po/w : -0.71

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -0.91
Solubility : 18.8 mg/ml ; 0.122 mol/l
Class : Very soluble
Log S (Ali) : -1.51
Solubility : 4.72 mg/ml ; 0.0306 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.67
Solubility : 32.7 mg/ml ; 0.212 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.25

Safety of [ 3537-14-2 ]

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

Application In Synthesis of [ 3537-14-2 ]

* 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 [ 3537-14-2 ]

[ 3537-14-2 ] Synthesis Path-Downstream   1~13

  • 1
  • [ 91-52-1 ]
  • [ 3537-14-2 ]
  • [ 127356-21-2 ]
  • 2
  • [ 72856-73-6 ]
  • [ 3537-14-2 ]
  • [ 127356-22-3 ]
  • 3
  • [ 144-62-7 ]
  • [ 3537-14-2 ]
  • [ 144435-09-6 ]
  • 4
  • [ 3073-30-1 ]
  • [ 3537-14-2 ]
YieldReaction ConditionsOperation in experiment
100% With ammonium sulfide; In methanol; water; at 75℃; 3,5-Dinitropyridin-2-amine (4.0 g, 21.7 mmol) was suspended in methanol (150 mL), and a 20% aqueous solution of ammonium sulfide (31.7 mL, 109 mmol, 5 eq.) was then added. A mixture resulted as the temperature was raised to 75C for 30 minutes. The mixture was allowed to cool and then placed in an ice bath, where a precipitate formed. The solids were collected by filtration, yielding 5-nitropyridine-2,3-diamine (3.4 g, 100%) as a solid. 1H NMR (400 MHz, DMSOd6) delta 8.28-8.29 (m, IH), 7.35-7.37 (m, IH), 6.99 (br s, 2H), 5.32 (br s, 2H).
99% With diammonium sulfide; In methanol; water; at 75℃; for 0.5h; 3,5-Dinitropyridin-2-amine (300.0 mg, 1.63 mmol) and ammonium sulfide solution (2.4 mL, 8.15 mmol) was dissolved in MeOH (11.3 mL), and it was stirred at 75 C. for 30 minutes and then cooled to room temperature. The formed solid was filtered and then dried under reduced pressure to obtain red solid compound of 5-nitropyridine-2,3-diamine (250.0 mg, 99%). [1183] LCMS ESI (+): 155 (M+1) [1184] 1H-NMR (400 MHz, DMSO-d6); delta:8.29 (d, 1H, J=1.8 Hz), 7.36 (d, 1H, J=1.8 Hz), 6.99 (s, 2H), 5.32 (s, 2H)
3.2 g With diammonium sulfide; In methanol; water; for 1h;Reflux; A solution of 3,5-Dinitropyridine-2-amine (3.9 g, 21.2 mmol, 1 eq) in Methanol (80 ml) was treated with 20% aqueous (NH^S (36.1 ml, 106 mmol, 5 eq) and heated to reflux for 1 hour. After cooling, the solid was collected by filtration and dried. The product was used without further purification. Yield: 3.2 g (98%); ESI-MS m/z: 155.0 [M+H]+; HPLC (Gradient A): rt 4.08 min, 100 %; 1H-NMR (DMSO-d6) d: 5.31 (br s, 2H), 6.98 (br s, 2H), 7.36 (d, 1 H, 4J=2.2 Hz), 8.28 (d, 1 H, 4J=2.6 Hz)
  • 6
  • [ 13205-48-6 ]
  • [ 3537-14-2 ]
  • [ 896114-88-8 ]
YieldReaction ConditionsOperation in experiment
1.0 g <strong>[3537-14-2]2,3-diamino-5-nitropyridine</strong> and 1.125 g 4-methylsulfanylbenzoic acid in 20 ml polyphosphoric acid were heated to 160 C. with stirring for 15 hrs. The mixture was cooled and poured into water. The pH was adjusted to 4-5 by addition of sodium hydroxide and the precipitate collected by filtration. The filtration residue was stirred in 50 ml pyridine at 60 C., cooled and insoluble components removed by filtration. The filtrate was evaporated and the residue used without further purification in the next steps. Yield 0.656 g of 30% purity
Example 4-1 [2-(4-Methylsulfanyl-phenyl)-3H-imidazo[4,5-b]pyridin-6-yl]-carbamic acid isopropyl ester a) 2-(4-Methylsulfanyl-phenyl)-6-nitro-3H-imidazo[4,5-b]pyridine; 1.0 g <strong>[3537-14-2]2,3-diamino-5-nitropyridine</strong> and 1.125 g 4-methylsulfanylbenzoic acid in 20 ml polyphosphoric acid were heated to 160 C. with stirring for 15 hrs. The mixture was cooled and poured into water. The pH was adjusted to 4-5 by addition of sodium hydroxide and the precipitate collected by filtration. The filtration residue was stirred in 50 ml pyridine at 60 C., cooled and insoluble components removed by filtration. The filtrate was evaporated and the residue used without further purification in the next steps. Yield 0.656 g of 30% purity
  • 7
  • [ 34036-07-2 ]
  • [ 3537-14-2 ]
  • [ 896114-98-0 ]
YieldReaction ConditionsOperation in experiment
In nitrobenzene; at 160℃; for 26h; 1.00 g 2,3-diamino-5-nitro-pyridine and 0.95 g 3,4-difluorobenzaldehyde were stirred in 60 ml nitrobenzene at 160 C for 26 hrs. The solvent was removed under vacuum and the residue dissolved in 40 ml pyridine at 60 C. The solution was cooled in an ice bath. Precipitated product was isolated by filtration and dried to yield 0.5 g of the title product.
In nitrobenzene; at 160℃; for 26h; Example 10-1 [2-(3,4-Difluoro-phenyl)-3H-imidazo[4,5-b]pyridin-6-yl]-carbamic acid isopropyl ester a) 2-(3,4-Difluoro-phenyl)-6-nitro-3H-imidazo[4,5-b]pyridine; 1.00 g 2,3-diamino-5-nitro-pyridine and 0.95 g 3,4-difluorobenzaldehyde were stirred in 60 ml nitrobenzene at 160 C. for 26 hrs. The solvent was removed under vacuum and the residue dissolved in 40 ml pyridine at 60 C. The solution was cooled in an ice bath. Precipitated product was isolated by filtration and dried to yield 0.5 g of the title product.
  • 8
  • [ 619-21-6 ]
  • [ 3537-14-2 ]
  • [ 896116-35-1 ]
YieldReaction ConditionsOperation in experiment
In nitrobenzene; at 160℃; for 30h; 0.87 g 3-carboxybenzaldehyde and 0.866 g <strong>[3537-14-2]2,3-diamino-5-nitropyridine</strong> in 50 ml nitrobenzene were heated to 160 C. for 30 hrs. The mixture was cooled to room temperature and 200 ml ethyl acetate and 100 ml ethyl ether were added. The precipitated product was collected by filtration and dried. Yield 1.135 g
  • 10
  • [ 3537-14-2 ]
  • 6,7-Dinitro-1,4-dihydro-pyrido[2,3-b]pyrazine-2,3-dione [ No CAS ]
  • 11
  • [ 3537-14-2 ]
  • [ 127356-05-2 ]
  • 12
  • [ 3537-14-2 ]
  • [ 127356-23-4 ]
  • 13
  • [ 3537-14-2 ]
  • [ 127356-43-8 ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 3537-14-2 ]

Amines

Chemical Structure| 3073-30-1

[ 3073-30-1 ]

3,5-Dinitropyridin-2-amine

Similarity: 0.94

Chemical Structure| 2586-99-4

[ 2586-99-4 ]

5-Nitropyridine-2,4-diamine

Similarity: 0.89

Chemical Structure| 24501-21-1

[ 24501-21-1 ]

3-Nitropyridine-2,4-diamine

Similarity: 0.88

Chemical Structure| 4214-76-0

[ 4214-76-0 ]

2-Amino-5-nitropyridine

Similarity: 0.86

Chemical Structure| 934-59-8

[ 934-59-8 ]

5-Nitropyridin-3-amine

Similarity: 0.85

Nitroes

Chemical Structure| 3073-30-1

[ 3073-30-1 ]

3,5-Dinitropyridin-2-amine

Similarity: 0.94

Chemical Structure| 2586-99-4

[ 2586-99-4 ]

5-Nitropyridine-2,4-diamine

Similarity: 0.89

Chemical Structure| 24501-21-1

[ 24501-21-1 ]

3-Nitropyridine-2,4-diamine

Similarity: 0.88

Chemical Structure| 4214-76-0

[ 4214-76-0 ]

2-Amino-5-nitropyridine

Similarity: 0.86

Chemical Structure| 934-59-8

[ 934-59-8 ]

5-Nitropyridin-3-amine

Similarity: 0.85

Related Parent Nucleus of
[ 3537-14-2 ]

Pyridines

Chemical Structure| 3073-30-1

[ 3073-30-1 ]

3,5-Dinitropyridin-2-amine

Similarity: 0.94

Chemical Structure| 2586-99-4

[ 2586-99-4 ]

5-Nitropyridine-2,4-diamine

Similarity: 0.89

Chemical Structure| 24501-21-1

[ 24501-21-1 ]

3-Nitropyridine-2,4-diamine

Similarity: 0.88

Chemical Structure| 4214-76-0

[ 4214-76-0 ]

2-Amino-5-nitropyridine

Similarity: 0.86

Chemical Structure| 934-59-8

[ 934-59-8 ]

5-Nitropyridin-3-amine

Similarity: 0.85

; ;