2-(2-Hydroxyphenyl)benzothiazole

• CAS: 3411-95-8
• Catalog Number: ACM3411958
• Category: Other Products
• Molecular Weight: 227.28
• Molecular Formula: C13H9NOS
• Synonyms: 2-(1,3-Benzothiazol-2-yl)phenol
• IUPAC Name: 2-(1,3-benzothiazol-2-yl)phenol
• Canonical SMILES: C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)O
• InChI: InChI=1S/C13H9NOS/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13/h1-8,15H
• InChI Key: MVVGSPCXHRFDDR-UHFFFAOYSA-N
• Boiling Point: 175-193 ºC
• Melting Point: 128-132 ºC (lit.)
• Density: 1.217 g/ml
• Complexity: 248
• Covalently-Bonded Unit Count: 1
• EC Number: 222-299-9
• Exact Mass: 227.04g/mol
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 16
• Monoisotopic Mass: 227.04g/mol
• NSC Number: 58548
• Rotatable Bond Count: 1
• Topological Polar Surface Area: 61.4A^2
• UNII: 40UQ1I362I

Synthetic Use

Upstream Synthesis Route 1

• 90-02-8
• 137-07-5

• 3411-95-8

Reference: [1]Das, Sudipto; Samanta, Suvendu; Maji, Swarup Kumar; Samanta, Partha Kumar; Dutta, Amit Kumar; Srivastava, Divesh N.; Adhikary, Bibhutosh; Biswas, Papu
[Tetrahedron Letters, 2013, vol. 54, # 9, p. 1090 - 1096]

Upstream Synthesis Route 2

• 137-07-5
• 69-72-7

• 3411-95-8

Reference: [1]Wu, Yuling; Xu, Huixia; Yang, Junli; Li, Jie; Liang, Wenqing; Sun, Jing; Wang, Hua; Xu, Bingshe
[New Journal of Chemistry, 2015, vol. 39, # 11, p. 8908 - 8914]

Downstream Synthesis Route 1

• 3411-95-8
• 557-34-6

• 58280-31-2

Reference: [1]Paul, Amrita; Shah, Sk. Sheriff; Shee, Maniklal; Singh, Amit Kumar; Singh, N. D. Pradeep
[Journal of Organic Chemistry, 2020, vol. 85, # 5, p. 3426 - 3439]
[2]Singh, Samarendra P.; Mohapatra; Qureshi; Manoharan, S. Sundar
[Applied Physics Letters, 2005, vol. 86, # 11, p. 1 - 3]

* For details of the synthesis route, please refer to the original source to ensure accuracy.