Benzo[b]thiophene-2-carbonyl chloride

Base Information

• Chemical Name: Benzo[b]thiophene-2-carbonyl chloride
• CAS No.: 39827-11-7
• Molecular Formula: C9H5ClOS
• Molecular Weight: 196.657
• Hs Code.: 2934999090
• European Community (EC) Number: 679-311-4
• DSSTox Substance ID: DTXSID80192891
• Nikkaji Number: J89.312I
• Wikidata: Q72440021
• Mol file: 39827-11-7.mol

Synonyms:Benzo[b]thiophene-2-carbonyl chloride;39827-11-7;1-Benzothiophene-2-carbonyl chloride;Thianaphthene-2-carbonyl chloride;benzo[b]thiophene-2-carbonylchloride;Benzo(b)thiophene-2-carbonyl chloride;MFCD00051635;2-benzthiophenecarbonylchloride;SCHEMBL103529;2-benzothiophenecarbonyl chloride;DTXSID80192891;benzothiophene-2-carbonyl chloride;2-benzo[b]thiophenecarbonyl chloride;GEO-00285;AKOS000281418;Benzo[b] thiophene-2-carbonyl chloride;1-Benzothiophene-2-carbonyl chloride #;benzothiophene-2-carboxylic acid chloride;BP-10051;DS-14623;B4637;benzo[b]thiophene-2-carboxylic acid chloride;FT-0622688;Benzo[b]thiophene-2-carbonyl chloride, AldrichCPR;W-200344

Chemical Property of Benzo[b]thiophene-2-carbonyl chloride

Chemical Property:

• Vapor Pressure: 0.000636mmHg at 25°C
• Melting Point: 85-86 °C
• Refractive Index: 1.68
• Boiling Point: 309.522 °C at 760 mmHg
• Flash Point: 140.994 °C
• PSA: 45.31000
• Density: 1.41 g/cm³
• LogP: 3.28030
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Moisture Sensitive
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 195.9749636
• Heavy Atom Count: 12
• Complexity: 195

Purity/Quality:

98%,99%, ^*data from raw suppliers

Benzo[b]thiophene-2-carbonyl Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xi
• Statements: 34-36
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(S2)C(=O)Cl

Technology Process of Benzo[b]thiophene-2-carbonyl chloride

There total 1 articles about Benzo[b]thiophene-2-carbonyl chloride 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:

benzo[b]thiophene-2-carboxylic acid (6314-28-9) + oxalyl dichloride (79-37-8) + tetraethyl (aminomethylene)bis(phosphonate) (80474-99-3) → benzothiophene-2-carboxylic acid chloride (39827-11-7) + tetraethyl [(2-benzo[b]thiophenecarboxamido)methylene]bis(phosphonate) (112855-75-1)

Guidance literature:

With pyridine; dmap; sodium hydrogencarbonate; In dichloromethane; di-isopropyl ether; ethyl acetate;

Reference yield: 92.5%

benzothiophene-2-carboxylic acid chloride (39827-11-7) + D-phenylalanine tert-butyl ester (3081-28-5,6404-30-4,16367-71-8,16874-17-2) → C22H23NO3S (1279714-06-5)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃;

DOI:10.1021/ja111312h

Reference yield: 91.0%

C10H14FNO + benzothiophene-2-carboxylic acid chloride (39827-11-7) → C19H18FNO2S (774243-97-9)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 1h;

upstream raw materials:

benzo[b]thiophene-2-carboxylic acid

oxalyl dichloride

tetraethyl (aminomethylene)bis(phosphonate)

Downstream raw materials:

benzo[b]thiophene-2-carboxylic acid-(2,5-dichloro-anilide)

benzo[b]thiophene-2-carboxylic acid-(4-hydroxy-anilide)

3-benzo[b]thiophen-2-yl-3-oxopropionic acid ethyl ester

benzo[b]thiophene-2-carboxylic acid-(2,4-dichloro-anilide)

Refernces

• 1、 -. "Diphosphonic acid compounds, processes for the preparation thereof and pharmaceutical composition comprising the same". . . Retrieved 2008/06/13.