2-[(3R)-3-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-mercaptopropyl]-alpha,alpha-dimethylbenzenemethanol

Base Information

Chemical Name:2-[(3R)-3-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-mercaptopropyl]-alpha,alpha-dimethylbenzenemethanol
CAS No.:855473-49-3
Molecular Formula:C₂₉H₂₈ClNOS
Molecular Weight:474.066
Hs Code.:
European Community (EC) Number:617-722-2
DSSTox Substance ID:DTXSID801110620

Synonyms:SCHEMBL1133011;SCHEMBL1133016;DTXSID801110620;2-[(3R)-3-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-mercaptopropyl]-alpha,alpha-dimethylbenzenemethanol;855473-49-3

Suppliers and Price of 2-[(3R)-3-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-mercaptopropyl]-alpha,alpha-dimethylbenzenemethanol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Total 1 raw suppliers

Chemical Property of 2-[(3R)-3-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-mercaptopropyl]-alpha,alpha-dimethylbenzenemethanol

Chemical Property:

XLogP3:7.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:473.1580134
Heavy Atom Count:33
Complexity:639

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)S)O
Isomeric SMILES:CC(C)(C1=CC=CC=C1CC[C@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)S)O

Technology Process of 2-[(3R)-3-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-mercaptopropyl]-alpha,alpha-dimethylbenzenemethanol

There total 2 articles about 2-[(3R)-3-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-mercaptopropyl]-alpha,alpha-dimethylbenzenemethanol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 93.0%

: 937366-40-0
(3R)-{3-[(E)-2-(7-chloro-2-quinolinyl)vinyl]phenyl}-4,5-dihydro-3H-benzo[c]thiepin-1-one

: 855473-49-3
C₂₉H₂₈ClNOS

Guidance literature:: methylmagnesium chloride; With cerium(III) chloride; In tetrahydrofuran; at 0 - 20 ℃; for 2.58333h;

(3R)-{3-[(E)-2-(7-chloro-2-quinolinyl)vinyl]phenyl}-4,5-dihydro-3H-benzo[c]thiepin-1-one; In tetrahydrofuran; toluene; at 0 - 20 ℃; for 1.08333h;

With hydrogenchloride; water; In tetrahydrofuran; toluene; at 20 ℃; for 0.25h; pH=4 - 5; Product distribution / selectivity;

Reference yield:

: 917-64-6
methyl magnesium iodide

: 855473-48-2
(R,E)-methyl 2-(3-(acetylthio)-3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)propyl)benzoate

: 855473-49-3
C₂₉H₂₈ClNOS

Guidance literature:: (R,E)-methyl 2-(3-(acetylthio)-3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)propyl)benzoate; lanthanum(III) chloride; lithium chloride; In tetrahydrofuran; toluene; at 20 ℃; for 1h;

methyl magnesium iodide; In tetrahydrofuran; diethyl ether; toluene; at -10 - 25 ℃;

With ammonium chloride; In tetrahydrofuran; diethyl ether; toluene;

Reference yield:

: 855473-49-3
C₂₉H₂₈ClNOS

: 151767-02-1
Montelukast sodium

Guidance literature:: Multi-step reaction with 3 steps

1.1: sodium methylate / N,N-dimethyl-formamide; methanol / 1 h / -10 °C

1.2: 20 °C

2.1: sodium hydroxide / tetrahydrofuran; methanol / 25 h / 5 - 20 °C / Industry scale

2.2: Industry scale

3.1: sodium hydroxide / toluene; ethanol / 2.5 h / 0 - 30 °C / Industry scale

With sodium methylate; sodium hydroxide; In tetrahydrofuran; methanol; ethanol; N,N-dimethyl-formamide; toluene;