6-Methoxybenzothiazole

Base Information

• Chemical Name: 6-Methoxybenzothiazole
• CAS No.: 2942-13-4
• Molecular Formula: C8H7NOS
• Molecular Weight: 165.216
• Hs Code.: 29342000
• NSC Number: 508406
• DSSTox Substance ID: DTXSID70325459
• Nikkaji Number: J582.762K
• Wikidata: Q72489180
• Mol file: 2942-13-4.mol

Synonyms:6-Methoxybenzothiazole;2942-13-4;6-methoxy-1,3-benzothiazole;6-METHOXYBENZO[D]THIAZOLE;BENZOTHIAZOLE, 6-METHOXY-;MFCD01961206;NSC 508406;Benzothiazole,6-methoxy-;methoxy-benzothiazole;NSC508406;6-methoxy-benzothiazole;SCHEMBL23133;DTXSID70325459;BCP21474;AKOS006279921;AB10586;CS-W000058;FS-2746;NSC-508406;AC-28028;SY019451;AM20040116;FT-0645183;A819907;J-518855

Chemical Property of 6-Methoxybenzothiazole

Chemical Property:

• Vapor Pressure: 0.00906mmHg at 25°C
• Melting Point: 72.5-73℃
• Refractive Index: 1.645
• Boiling Point: 274.4 °C at 760 mmHg
• PKA: 1.60±0.10(Predicted)
• Flash Point: 119.8 °C
• PSA: 50.36000
• Density: 1.268 g/cm³
• LogP: 2.30490
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 165.02483502
• Heavy Atom Count: 11
• Complexity: 142

Purity/Quality:

98%min ^*data from raw suppliers

6-Methoxybenzothiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)N=CS2

Technology Process of 6-Methoxybenzothiazole

There total 11 articles about 6-Methoxybenzothiazole 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%

6-methoxybenzothiazol-2-ylamine (1747-60-0) → 6-methoxy-1,3-benzothiazole (2942-13-4)

Guidance literature:

With 1-nitro-3-methylbutane; In tetrahydrofuran; at 70 ℃; for 2h; Inert atmosphere;

Reference yield: 89.0%

→ 6-methoxy-1,3-benzothiazole (2942-13-4)

Guidance literature:

With water; caesium carbonate; for 0.166667h; Microwave irradiation;

Reference yield: 86.0%

tert-butylisonitrile (119072-55-8,7188-38-7) + 2-amino-5-methoxy-benzenethiol; hydrochloride (4274-42-4) → 6-methoxy-1,3-benzothiazole (2942-13-4)

Guidance literature:

In N,N-dimethyl-formamide; at 120 ℃; for 24h; Inert atmosphere;

DOI:10.1021/jo302544d

upstream raw materials:

6-methoxybenzothiazol-2-ylamine

thiophenol

2-iodo-6-methoxybenzo[d]thiazole

p-anisidine hydrochloride

Downstream raw materials:

6-methoxy-7-nitro-benzothiazole

6-hydroxybenzothiazole

4-(6-methoxybenzo[d]thiazol-2-yl)-N-methylaniline

4-(6-methoxybenzo[d]thiazol2-yl)-N,N-dimethylaniline

Refernces

• 1、 Capaldo, Luca,Quadri, Lorenzo L.,Merli, Daniele,Ravelli, Davide. "Photoelectrochemical cross-dehydrogenative coupling of benzothiazoles with strong aliphatic C-H bonds". supporting information. p. 4424 - 4427. Retrieved 2021/05/10.
• 2、 Deng, Guobo,Kuang, Daizhi,Liang, Yun,Yang, Yuan,Yu, Jiangxi,Zhang, Fuxing,Zhu, Xiaoming. "K2S as Sulfur Source and DMSO as Carbon Source for the Synthesis of 2-Unsubstituted Benzothiazoles". supporting information. p. 3789 - 3793. Retrieved 2020/06/04.