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. 65550-81-4 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 65550-81-4
Chemical Structure| 65550-81-4
Structure of 65550-81-4 * 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 [ 65550-81-4 ]

Related Doc. of [ 65550-81-4 ]

Alternatived Products of [ 65550-81-4 ]
Product Citations

Product Details of [ 65550-81-4 ]

CAS No. :65550-81-4 MDL No. :MFCD09839259
Formula : C6H5BrClN Boiling Point : -
Linear Structure Formula :- InChI Key :GNNKEUJOCAJOBW-UHFFFAOYSA-N
M.W : 206.47 Pubchem ID :12630984
Synonyms :

Calculated chemistry of [ 65550-81-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.17
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 41.91
TPSA : 12.89 ?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) : -5.52 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.14
Log Po/w (XLOGP3) : 2.87
Log Po/w (WLOGP) : 2.81
Log Po/w (MLOGP) : 2.18
Log Po/w (SILICOS-IT) : 3.14
Consensus Log Po/w : 2.63

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.42
Solubility : 0.0782 mg/ml ; 0.000379 mol/l
Class : Soluble
Log S (Ali) : -2.8
Solubility : 0.327 mg/ml ; 0.00158 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.89
Solubility : 0.0268 mg/ml ; 0.00013 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.83

Safety of [ 65550-81-4 ]

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 [ 65550-81-4 ]

* 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 [ 65550-81-4 ]

[ 65550-81-4 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 65550-81-4 ]
  • [ 69045-83-6 ]
YieldReaction ConditionsOperation in experiment
(i) Preparation of 2-bromo-3-chloro-5-methylpyridine The product from paragraph (h) (5.7 g) in hydrobromic acid (48%; 50 ml) was cooled to -15 C. to -10 C. and bromine (2.6 ml) was added dropwise with stirring. The temperature was then kept at -5 C. to 0 C. while sodium nitrite (5.53 g) in water (12 ml) was added dropwise over a period of 45 minutes. When addition was complete, the mixture was stirred a further 30 minutes at 0 C. and poured on to ice. The mixture was made slightly alkaline by dropwise addition of concentrated ammonia, keeping the temperature at 0 C. with added ice. The mixture was extracted with ether (150 ml). The ether extract was washed with water, sodium bisulphite solution, and water, and then dried and evaporated. The residue was taken up in petroleum (b.p. 40-60 C.) and the solution filtered and evaporated. The residue was identified as 2-bromo-3-chloro-5-methylpyridine.
  • 3
  • [ 188111-79-7 ]
  • [ 65550-81-4 ]
  • C16H24ClN3O2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
With tris-(dibenzylideneacetone)dipalladium(0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate; In toluene; at 90.0℃; for 18.0h; 10225] WXO14-1 (500.00 mg, 2.42 mmol, 1.00 eq) and compound WX1313-3-1 (533.51 mg, 2.66 mmol, 1.10 eq) were dissolved in methylbenzene (25 ml). Tris(dibenzylideneacetone)dipalladium (221.76 mg, 242.00 tmol, 0.10 eq), sodium tert-butoxide (349.08 mg,3.63 mmol,1.50 eq) and binaphthyl (I3INAP) (301.37 mg, 484.00 tmol, 0.20 eq) were added. The mixture was reacted at 90 C. for 18 h. Afier reaction, the reaction liquid was filtered through diatomite, the filtrate was washed with ethyl acetate (10 ml), and dried by rotary evaporation under vacuum. Ethyl acetate (50 ml) was added to residue. The resulting mixture was washed with water (10 ml), the organic phase was dried by rotary evaporation under vacuum, and the crude was purified by column chromatography (petroleum ether:ethyl acetate=30:1-10:1) to obtain the compound WXO14-2. ?H NMR (400 MHz, CDC13) oeppm: 7.76 (s, 1H), 7.22 (s, 1H), 4.79 (d, J=4.00 Hz, 1H), 3.98 (br, s, 1H), 3.30 (br, s, 3H),2.09 (s, 3H), 1.87-1.82 (m, 2H), 1.65-1.58 (m, 3H), 1.33 (s, 9H).
  • 4
  • [ 65550-81-4 ]
  • C28H33ClN4O5 [ No CAS ]
  • 5
  • [ 65550-81-4 ]
  • C23H25ClN4O3 [ No CAS ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 65550-81-4 ]

Bromides

Chemical Structure| 884495-42-5

[ 884495-42-5 ]

2-Bromo-3-chloro-4-methylpyridine

Similarity: 0.91

Chemical Structure| 96424-68-9

[ 96424-68-9 ]

2-Bromo-3-chloropyridine

Similarity: 0.87

Chemical Structure| 75806-84-7

[ 75806-84-7 ]

2-Bromo-3-chloro-5-(trifluoromethyl)pyridine

Similarity: 0.84

Chemical Structure| 120258-63-1

[ 120258-63-1 ]

2-Bromo-3-chloroquinoline

Similarity: 0.82

Chemical Structure| 344324-94-3

[ 344324-94-3 ]

2-Bromo-3,5-dichloro-4-methylpyridine

Similarity: 0.78

Chlorides

Chemical Structure| 884495-42-5

[ 884495-42-5 ]

2-Bromo-3-chloro-4-methylpyridine

Similarity: 0.91

Chemical Structure| 96424-68-9

[ 96424-68-9 ]

2-Bromo-3-chloropyridine

Similarity: 0.87

Chemical Structure| 75806-84-7

[ 75806-84-7 ]

2-Bromo-3-chloro-5-(trifluoromethyl)pyridine

Similarity: 0.84

Chemical Structure| 120258-63-1

[ 120258-63-1 ]

2-Bromo-3-chloroquinoline

Similarity: 0.82

Chemical Structure| 344324-94-3

[ 344324-94-3 ]

2-Bromo-3,5-dichloro-4-methylpyridine

Similarity: 0.78

Related Parent Nucleus of
[ 65550-81-4 ]

Pyridines

Chemical Structure| 884495-42-5

[ 884495-42-5 ]

2-Bromo-3-chloro-4-methylpyridine

Similarity: 0.91

Chemical Structure| 96424-68-9

[ 96424-68-9 ]

2-Bromo-3-chloropyridine

Similarity: 0.87

Chemical Structure| 75806-84-7

[ 75806-84-7 ]

2-Bromo-3-chloro-5-(trifluoromethyl)pyridine

Similarity: 0.84

Chemical Structure| 344324-94-3

[ 344324-94-3 ]

2-Bromo-3,5-dichloro-4-methylpyridine

Similarity: 0.78

Chemical Structure| 14482-51-0

[ 14482-51-0 ]

2-Bromo-3,5-dichloropyridine

Similarity: 0.78

; ;