4-Methoxybenzo[d]thiazole-2-carbonitrile

Base Information

• Chemical Name: 4-Methoxybenzo[d]thiazole-2-carbonitrile
• CAS No.: 7267-30-3
• Molecular Formula: C₉H₆N₂OS
• Molecular Weight: 190.225
• Hs Code.: 2934200090
• DSSTox Substance ID: DTXSID20572092
• Wikidata: Q82460349
• Mol file: 7267-30-3.mol

Synonyms:4-Methoxybenzo[d]thiazole-2-carbonitrile;7267-30-3;4-Methoxy-1,3-benzothiazole-2-carbonitrile;2-Benzothiazolecarbonitrile, 4-methoxy-;SCHEMBL22127190;DTXSID20572092;MFCD11217478;AKOS006307207;BS-18014;D82331

Chemical Property of 4-Methoxybenzo[d]thiazole-2-carbonitrile

Chemical Property:

• Melting Point: 127-130 °C
• Boiling Point: 334.9±34.0 °C(Predicted)
• PKA: -2.09±0.10(Predicted)
• PSA: 74.15000
• Density: 1.36±0.1 g/cm3(Predicted)
• LogP: 2.17658
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 190.02008399
• Heavy Atom Count: 13
• Complexity: 237

Purity/Quality:

99% ^*data from raw suppliers

4-Methoxybenzo[d]thiazole-2-carbonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C2C(=CC=C1)SC(=N2)C#N

Technology Process of 4-Methoxybenzo[d]thiazole-2-carbonitrile

There total 7 articles about 4-Methoxybenzo[d]thiazole-2-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: 52.0%

[4-Chloro-[1,2,3]dithiazol-(5Z)-ylidene]-(2-methoxy-phenyl)-amine → 4-methoxybenzo[d]thiazole-2-carbonitrile (7267-30-3)

Guidance literature:

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

DOI:10.1080/00397919708003382

Reference yield: 40.0%

2-bromo-4-methoxybenzo[d]thiazole (3622-39-7) + copper(l) cyanide → 4-methoxybenzo[d]thiazole-2-carbonitrile (7267-30-3)

Guidance literature:

In N,N-dimethyl-formamide; at 200 ℃; for 0.5h; Microwave irradiation;

Reference yield:

4-methoxybenzo[d]thiazole-2-carboxylic acid (3507-48-0) → 4-methoxybenzo[d]thiazole-2-carbonitrile (7267-30-3)

Guidance literature:

Multi-step reaction with 3 steps

1: HCl

2: NH₃ / methanol

3: POCl₃ / Heating

With hydrogenchloride; ammonia; trichlorophosphate; In methanol;

DOI:10.1021/jo01343a039

upstream raw materials:

2-Carbamoyl-4-methoxy-benzothiazol

2-methoxy-phenylamine

4-methoxybenzo[d]thiazole-2-carboxylic acid

4-methoxybenzo[d]thiazole-2-carboxylic acid methyl ester

Downstream raw materials:

2-Cyan-4-hydroxy-benzothiazol