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. 1184172-46-0 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1184172-46-0
Chemical Structure| 1184172-46-0
Structure of 1184172-46-0 * 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 [ 1184172-46-0 ]

Related Doc. of [ 1184172-46-0 ]

Alternatived Products of [ 1184172-46-0 ]
Product Citations

Product Details of [ 1184172-46-0 ]

CAS No. :1184172-46-0 MDL No. :MFCD13189885
Formula : C5H3ClFNO Boiling Point : No data available
Linear Structure Formula :- InChI Key :KMUSIJQLKVODNC-UHFFFAOYSA-N
M.W : 147.54 Pubchem ID :70700710
Synonyms :

Calculated chemistry of [ 1184172-46-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 31.23
TPSA : 33.12 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.09 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.38
Log Po/w (XLOGP3) : 1.56
Log Po/w (WLOGP) : 2.0
Log Po/w (MLOGP) : 0.85
Log Po/w (SILICOS-IT) : 2.01
Consensus Log Po/w : 1.56

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.23
Solubility : 0.867 mg/ml ; 0.00588 mol/l
Class : Soluble
Log S (Ali) : -1.87
Solubility : 2.01 mg/ml ; 0.0136 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.32
Solubility : 0.7 mg/ml ; 0.00474 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.77

Safety of [ 1184172-46-0 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1184172-46-0 ]

* 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 [ 1184172-46-0 ]

[ 1184172-46-0 ] Synthesis Path-Downstream   1~13

  • 1
  • [ 1184172-46-0 ]
  • [ 74-88-4 ]
  • [ 1184172-10-8 ]
YieldReaction ConditionsOperation in experiment
52% With potassium carbonate; In acetone;Reflux; 2-Chloro-3-fluoro-4-hydroxypyridine (10 mmol), methyl iodide (20 mmol) and potassium carbonate (20 mmol) in acetone (100 ml) was refluxed overnight. The inorganic salt was filtered and the solvent was evaporated. The residue was purified on column (eluent: ethyl acetate: hexane = 1 :5) to afford a colorless liquid (52%).
52% With potassium carbonate; In acetone;Reflux; 2-Chloro-3-fluoro-4-methoxypyridine (11): 2-Chloro-3-fluoro-4-hydroxypyridine (10 mmol), methyl iodide (20 mmol) and potassiumcarbonate (20 mmol) in acetone (100 ml) was refluxedovernight. The inorganic salt was filtered and the solvent wasevaporated. The residue was purified on column (eluent: ethylacetate:hexane = 1:5) to afford a colorless liquid [19] (52%). 1HNMR (CDCl3): d 8.08 (dd, J = 1.0, 5.8 Hz, 1H, C6-H), 6.88 (t,J = 5.7 Hz, 1H, C5-H), 3.97 (s, 3H, OMe). 19F NMR (CDCl3): d 143.49(s). ESI-MS: 162 (M+1)+.
  • 2
  • [ 1184172-46-0 ]
  • [ 75-03-6 ]
  • [ 1184172-58-4 ]
YieldReaction ConditionsOperation in experiment
58% With potassium carbonate; In acetone;Reflux; 2-Chloro-3-fluoro-4-hydroxypyridine (10 mmol), which previously described in the scheme 11, methyl iodide (20 mmol) and potassium carbonate (20 mmol) in acetone (100 ml) was refluxed overnight. The inorganic salt was filtered and the solvent was evaporated. The residue was purified on column eluting with ethyl acetate to afford a white solid (58%).
  • 3
  • [ 17282-04-1 ]
  • [ 1184172-46-0 ]
YieldReaction ConditionsOperation in experiment
80% A solution of 2-chloro-3-fluoropyridine (2 mmol) in anhydrous THF (10ml) was cooled to -780C. To this solution was added a solution of lithium diisopropylamide (LDA; 2.2 mmol) in hexane slowly at same temperature. After 2h at -780C, to the mixture was added trimethoxyborane (0.48ml) and stirred for 2h, followed by an addition of peracetic acid (0.72 ml; 32% in dilute acetic acid). The mixture was allowed to warm to O0C under stirring for Ih, then cooled to -2O0C, sodium dithionite (0.8g in 2ml water) was added dropwise. The mixture was extracted with ethyl acetate and the extract was <n="24"/>dried and concentrated. The residue was purified by chromatography, eluting with 1:19 MeOH:DCM to give the expected product as a white solid (80%).
80% 2-Chloro-3-fluoro-4-hydroxypyridine (10): A solution of 2-chloro-3-fluoropyridine (2 mmol) in anhydrous THF (10 ml) wascooled to 78 8C. To this solution was added a solution of lithiumdiisopropylamide (LDA; 2.2 mmol) in hexane slowly at sametemperature. After 2 h at 78 8C, to the mixture was addedtrimethoxyborane (0.48 ml) and stirred for 2 h, followed by anaddition of peracetic acid (0.72 ml; 32% in dilute acetic acid). Themixture was allowed to warm to 0 8C under stirring for 1 h. Afterthe mixture was cooled to 20 8C, sodium dithionite (0.8 g in 2 mlwater) was added dropwise. The mixture was extracted with ethylacetate and the extract was dried and concentrated. The residuewas purified by chromatography, eluting with 1:19 MeOH:DCM togive the expected product as a white solid [19] (80%). 1H NMR (d6-DMSO): d 11.86 (brs, 1H, OH), 7.89 (d, J = 5.3 Hz, 1H, C6-H), 6.95 (t,J = 5.8 Hz, 1H, C5-H). 19F NMR (d6-DMSO): d 141.29 (s). ESI-MS:148 (M+1)+.
78% n-BuLi (2 M in cyclohexane, 6 mL, 12.0 mmol) was added to a solution of diisopropylamine (1.8 mL, 12.8 mmol) in dry THF (50 mL) at -78 C. Next, 2-chloro-3-fluoropyridine (1 mL, 10.058 mmol, CAS 17282-04-1) was added dropwise and the reaction mixture was stirred for 2 h at -78 C. Then, trimethylborate (2.4 mL, 21.3 mmol) was added dropwise and the mixture was stirred another 2 h. Then, peracetic acid (39% in acetic acid, 3.0 mL, 17.7 mmol) was added together with water (0.5 mL) and the mixture was allowed to warm to 0 C and stirred for 1 h. The clear solution turned turbid. An aq. saturated Na 2S 2O 3 solution was added, and the org layer was separated. The aq. layer was extracted with EtOAc multiple times, the combined organic layers were dried over MgSO 4, filtered and concentrated. The residue was purified by flash column chromatography (120 g silica, redisep Gold, gradient DCM/MeOH 99:1 to 95:5). After concentration of the product fractions, intermediate 35?? was obtained as white solid (1.16 g, 78%).
  • 4
  • [ 1184172-46-0 ]
  • [ 1184172-13-1 ]
  • 5
  • [ 1184172-46-0 ]
  • [ 74-88-4 ]
  • [ 1184172-30-2 ]
  • 6
  • [ 1184172-46-0 ]
  • [ 74-88-4 ]
  • [ 1184172-25-5 ]
  • 7
  • [ 1184172-46-0 ]
  • [ 74-88-4 ]
  • [ 1184172-29-9 ]
  • 8
  • [ 75-30-9 ]
  • [ 1184172-46-0 ]
  • [ 1362857-63-3 ]
  • 9
  • [ 1184172-46-0 ]
  • [ 1184172-24-4 ]
  • 11
  • [ 1184172-46-0 ]
  • [ 1362857-81-5 ]
  • 12
  • [ 1184172-46-0 ]
  • [ 1362857-82-6 ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records
; ;