7-Chloro-3-MethylBenzo[B]Thiophene

Base Information

• Chemical Name: 7-Chloro-3-MethylBenzo[B]Thiophene
• CAS No.: 17514-68-0
• Molecular Formula: C9H7ClS
• Molecular Weight: 182.674
• Hs Code.: 2934999090
• European Community (EC) Number: 605-751-3
• DSSTox Substance ID: DTXSID30604010
• Wikidata: Q72453762
• Mol file: 17514-68-0.mol

Synonyms:17514-68-0;7-Chloro-3-MethylBenzo[B]Thiophene;7-chloro-3-methyl-1-benzothiophene;7-Chloro-3-methyl benzo[b]thiophene;7-Chloro-3-methylbenzothiophene;Benzo[b]thiophene, 7-chloro-3-methyl-;7-Chloro-3-methyl benzo(b)thiophene;EC 605-751-3;SCHEMBL787846;7-Chloro-3-methyl thionaphthene;DTXSID30604010;MFCD07787491;AKOS015908978;A3873;NS00004948;A811804

Chemical Property of 7-Chloro-3-MethylBenzo[B]Thiophene

Chemical Property:

• Vapor Pressure: 0.00641mmHg at 25°C
• Refractive Index: 1.66
• Boiling Point: 280.5 °C at 760 mmHg
• Flash Point: 163.1 °C
• PSA: 28.24000
• Density: 1.293 g/cm³
• LogP: 3.86310
• Storage Temp.: 2-8°C
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 181.9956991
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

99.9% ^*data from raw suppliers

7-Chloro-3-methyl-1-benzothiophene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CSC2=C1C=CC=C2Cl

Technology Process of 7-Chloro-3-MethylBenzo[B]Thiophene

There total 5 articles about 7-Chloro-3-MethylBenzo[B]Thiophene 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:

1-(2-chlorophenylthio)propan-2-one (17514-52-2) → 3-methyl-7-chlorobenzo[b]thiophene (17514-68-0)

Guidance literature:

With PPA; at 115 - 120 ℃; for 4h;

DOI:10.1039/P19720001404

Reference yield:

2-chlorothiphenol (6320-03-2) + chloroacetone (78-95-5) → 3-methyl-7-chlorobenzo[b]thiophene (17514-68-0)

Guidance literature:

With PPA; Yield given. Multistep reaction;

DOI:10.1002/mrc.1260231006

Reference yield:

3-Bromomethyl-7-chlorobenzothiophene (17512-61-7) → 3-methyl-7-chlorobenzo[b]thiophene (17514-68-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; diethyl ether; at 20 ℃; for 0.5h;

DOI:10.1002/anie.202112180

upstream raw materials:

1-(2-chlorophenylthio)propan-2-one

2-chlorothiphenol

chloroacetone

3-Bromomethyl-7-chlorobenzothiophene

Downstream raw materials:

5-bromo-3-bromomethylbenzothiophene

3-Bromomethyl-7-chlorobenzothiophene

Refernces

• 1、 -. "Preparation process of sertaconazole nitrate". Paragraph 0025; 0028-0029. . Retrieved 2021/04/26.
• 2、 -. "NEW COMPOUNDS". Page/Page column 47-48. . Retrieved 2012/04/04.