Benzo[b]thiophene-4-carbonitrile

Base Information

• Chemical Name: Benzo[b]thiophene-4-carbonitrile
• CAS No.: 17347-34-1
• Molecular Formula: C9H5NS
• Molecular Weight: 159.20800
• Hs Code.: 2934999090
• Mol file: 17347-34-1.mol

Synonyms:1-benzothiophene-4-carbonitrile;

Chemical Property of Benzo[b]thiophene-4-carbonitrile

Chemical Property:

• Boiling Point: 312.7±15.0 °C(Predicted)
• PSA: 52.03000
• Density: 1.28±0.1 g/cm3(Predicted)
• LogP: 2.77298

Purity/Quality:

99% ^*data from raw suppliers

BENZO[B]THIOPHENE-4-CARBONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzo[b]thiophene-4-carbonitrile

There total 7 articles about Benzo[b]thiophene-4-carbonitrile 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: 95.0%

4-chlorobenzothiophene (66490-33-3) + urea (57-13-6) → benzo[b]thiophene-4-carbonitrile (17347-34-1)

Guidance literature:

With nickel(II) acetylacetonate; potassium fluoride; phenylsilane; zinc; bis(2-diphenylphosphinoethyl)phenylphosphine; In 1-methyl-pyrrolidin-2-one; at 90 - 140 ℃; for 20h;

DOI:10.1038/s41467-020-17939-2

Reference yield: 72.0%

4-bromobenzo[b]thiophene (5118-13-8) + formamide (77287-34-4,77287-35-5,60100-09-6) → benzo[b]thiophene-4-carbonitrile (17347-34-1)

Guidance literature:

With [2,2]bipyridinyl; aluminum (III) chloride; nickel(II) acetylacetonate; zinc(II) oxide; In 1,2-dimethoxyethane; at 145 ℃; for 12h;

DOI:10.1021/acscatal.8b05111

Reference yield: 72.0%

→ benzo[b]thiophene-4-carbonitrile (17347-34-1)

Guidance literature:

With [2,2]bipyridinyl; aluminum (III) chloride; bis(acetylacetonate)nickel(II); zinc(II) oxide; In 1,2-dimethoxyethane; at 140 ℃; for 12h; Sealed tube;

upstream raw materials:

6-bromobenzothiophene

4-bromobenzo[b]thiophene

copper(I) cyanide

6,7-dihydrobenzo[b]thiophene-4-carbonitrile

Downstream raw materials:

4-cyanobenzo[b]thiophen-2-yl-2-boronic acid

7-cyanobenzo[b]thiophen-2-yl-2-boronic acid

4-acetylbenzothiophen

benzo[b]thiophene-4-carboxaldehyde

Refernces

• 1、 -. "A carboxamide is the cyanogen source of aromatic nitrile to the preparation method of the (by machine translation)". Paragraph 0015; 0016; 0017; 0018-0024; 0116; 0117-0121. . Retrieved 2019/05/08.
• 2、 -. "BENZISOXAZOLE COMPOUND". Page/Page column 149; 150. . Retrieved 2009/02/10.