2-Benzothiazolecarbonitrile(7CI,8CI,9CI)

Base Information

• Chemical Name: 2-Benzothiazolecarbonitrile(7CI,8CI,9CI)
• CAS No.: 2602-85-9
• Molecular Formula: C8H4 N2 S
• Molecular Weight: 160.199
• Hs Code.: 2934200090
• Mol file: 2602-85-9.mol

Synonyms:2-Cyanobenzothiazole

Chemical Property of 2-Benzothiazolecarbonitrile(7CI,8CI,9CI)

Chemical Property:

• Melting Point: 80 °C
• Boiling Point: 293.2±23.0 °C(Predicted)
• PKA: -2.24±0.10(Predicted)
• PSA: 64.92000
• Density: 1.36±0.1 g/cm3(Predicted)
• LogP: 2.16798
• Storage Temp.: 2-8°C

Purity/Quality:

99%, ^*data from raw suppliers

Benzo[d]thiazole-2-carbonitrile 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-Benzothiazolecarbonitrile(7CI,8CI,9CI)

There total 5 articles about 2-Benzothiazolecarbonitrile(7CI,8CI,9CI) 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: 63.0%

2-phenylmethanesulfonyl-benzothiazole (67219-33-4) + lithium cyanide (2408-36-8) → benzothiazole-2-carbonitrile (2602-85-9) + benzylsulfinate de lithium

Guidance literature:

In tetrahydrofuran; for 2h; Heating;

Reference yield: 55.0%

2-amino-benzthiazole (136-95-8,102337-98-4,84293-42-5) + chloroform (67-66-3,8013-54-5) → 1,3-Benzothiazole (95-16-9) + 2-chlorobenzo[d][1,3]thiazole (615-20-3) + o-cyanophenyl thiocyanate (34263-66-6) + benzothiazole-2-carbonitrile (2602-85-9)

Guidance literature:

Heating;

Reference yield: 2.0%

[4-Chloro-[1,2,3]dithiazol-(5Z)-ylidene]-phenyl-amine → benzothiazole-2-carbonitrile (2602-85-9) + 2-nitrilo-N-phenyl-acetimidoyl chloride

Guidance literature:

With pyrographite; at 150 ℃; for 0.05h; microwave irradiation;

DOI:10.1081/SCC-120025190

upstream raw materials:

benzothiazol-2-yl-(E)-hydroxyimino-acetic acid

2-amino-benzthiazole

chloroform

2-phenylmethanesulfonyl-benzothiazole

Downstream raw materials:

2-benzothiazol-2-yl-5-benzyl-3,5-dihydro-imidazol-4-one

N-(benzothiazole-2-carboximidoyl)-DL-phenylalanine

(-)-(1'R,3R)-5-(benzothiazol-2-yl)-3-phenyl-2-(1-phenylethyl)-2,3-dihydro-1,2,4-oxadiazole

(+)-(1'R,3S)-5-(benzothiazol-2-yl)-3-phenyl-2-(1-phenylethyl)-2,3-dihydro-1,2,4-oxadiazole

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