2-(4-Methoxyphenyl)benzothiazole

• CAS: 6265-92-5
• Catalog Number: ACM6265925
• Category: Other Products
• Molecular Weight: 241.308g/mol
• Molecular Formula: C14H11NOS
• Synonyms: 2-(4-Methoxyphenyl)benzothiazole; MCULE-4776895350; MFCD01099069 (98%); ZINC163299; Benzothiazole,2-(4-methoxyphenyl)-; AC1L3V0T; CS-12305; 1-(2-Benzothiazolyl)-4-methoxybenzene; TC-123067; SMR000284381
• IUPAC Name: 2-(4-methoxyphenyl)-1,3-benzothiazole
• Canonical SMILES: COC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2
• InChI: InChI=1S/C14H11NOS/c1-16-11-8-6-10(7-9-11)14-15-12-4-2-3-5-13(12)17-14/h2-9H,1H3
• InChI Key: AOPZIJQISHFZBN-UHFFFAOYSA-N
• Complexity: 253
• Covalently-Bonded Unit Count: 1
• Exact Mass: 241.056g/mol
• H-Bond Acceptor: 3
• Heavy Atom Count: 17
• Monoisotopic Mass: 241.056g/mol
• NSC Number: 33161
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 50.4A^2

Synthetic Use

Upstream Synthesis Route 1

• 123-11-5
• 137-07-5

• 6265-92-5

Reference: [1]Current Patent Assignee: EAST CHINA UNIVERSITY OF TECHNOLOGY - CN111072594, 2020, A
Location in patent: Paragraph 0116; 0119-0120

Upstream Synthesis Route 2

• 26060-23-1

• 6265-92-5

Reference: [1]Zhang, Guoting; Liu, Chao; Yi, Hong; Meng, Qingyuan; Bian, Changliang; Chen, Hong; Jian, Jing-Xin; Wu, Li-Zhu; Lei, Aiwen
[Journal of the American Chemical Society, 2015, vol. 137, # 29, p. 9273 - 9280]

Upstream Synthesis Route 3

• 100-07-2
• 137-07-5

• 6265-92-5

Reference: [1]Brembilla, A.; Roizard, D.; Lochon, P.
[Synthetic Communications, 1990, vol. 20, # 21, p. 3379 - 3384]