2-Benzothiazolecarbonitrile,4,7-dimethoxy-(9CI)

Base Information

• Chemical Name: 2-Benzothiazolecarbonitrile,4,7-dimethoxy-(9CI)
• CAS No.: 191474-79-0
• Molecular Formula: C₁₀H₈N₂O₂S
• Molecular Weight: 220.252
• Mol file: 191474-79-0.mol

Synonyms:4,7-Dimethoxy-2-benzothiazolecarbonitrile

Chemical Property of 2-Benzothiazolecarbonitrile,4,7-dimethoxy-(9CI)

Chemical Property:

• PSA: 83.38000
• LogP: 2.18518

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-Benzothiazolecarbonitrile,4,7-dimethoxy-(9CI)

There total 3 articles about 2-Benzothiazolecarbonitrile,4,7-dimethoxy-(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: 81.0%

2,5-dimethoxy-N-(4-chloro-5H-1,2,3-dithiazol-5-ylidene)aniline → 4,7-dimethoxybenzothiazole-2-carbonitrile (191474-79-0)

Guidance literature:

at 150 - 160 ℃; for 0.075h; microwave irradiation at 300 W; further conditions: thermolysis;

DOI:10.1080/00397919708003382

Reference yield:

2,5-dimethoxyaniline (102-56-7,102526-87-4) → 4,7-dimethoxybenzothiazole-2-carbonitrile (191474-79-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 40 percent / pyridine / CH₂Cl₂ / 2 h / -15 °C

2: 70 percent / toluene / 8 h / Heating

With pyridine; In dichloromethane; toluene; 1: Condensation / 2: Ring cleavage;

DOI:10.1016/S0223-5234(99)00130-0

Reference yield:

2,5-dimethoxyaniline (102-56-7,102526-87-4) → 4,7-dimethoxybenzothiazole-2-carbonitrile (191474-79-0)

Guidance literature:

Multi-step reaction with 2 steps

1: CH₂Cl₂ / 2 h / 20 °C

2: 64 percent / 1-methyl-pyrrolidin-2-one / 0.05 h / 150 °C / microwave irradiation

In 1-methyl-pyrrolidin-2-one; dichloromethane;

DOI:10.1016/S0040-4020(02)01593-4 DOI:10.1081/SCC-120025190

upstream raw materials:

2,5-dimethoxyaniline

Downstream raw materials:

4,7-dimethoxybenzothiazole-2-carboxylic acid

Refernces

• 1、 Frère, Stéphane,Thiéry, Valérie,Bailly, Christian,Besson, Thierry. "Novel 6-substituted benzothiazol-2-yl indolo[1,2-c]quinazolines and benzimidazo[1,2-c]quinazolines". . p. 773 - 779. Retrieved 2007/10/03.
• 2、 Beneteau, Valerie,Besson, Thierry,Rees, Charles W.. "Rapid synthesis of 2-cyanobenzothiazoles from N-aryliminodithiazoles under microwave irradiation". . p. 2275 - 2280. Retrieved 2007/10/03.