2-(2-Benzothiazolyl)-6-methylphenol

CAS

56048-53-4

Catalog Number

ACM56048534

Category

Other Products

Molecular Weight

241.31

Molecular Formula

C₁₄H₁₁NOS

MSDS COA Spec Sheet

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Specification

Synonyms

2-(2-Benzothiazolyl)-6-methylphenol;2-(2-Hydroxy-3-methylphenyl)benzothiazole

IUPAC Name

6-(3H-1,3-benzothiazol-2-ylidene)-2-methylcyclohexa-2,4-dien-1-one

Canonical SMILES

CC1=CC=CC(=C2NC3=CC=CC=C3S2)C1=O

InChI Key

VRAFTOXPPSEOHY-UHFFFAOYSA-N

Boiling Point

414.6ºC at 760 mmHg

Flash Point

204.6ºC

Density

1.295 g/cm³

Exact Mass

241.05600

H-Bond Acceptor

H-Bond Donor

Upstream Synthesis Route 1

83-40-9
137-07-5

56048-53-4

Reference: [1]Journal of the Chemical Society. Perkin transactions II,1984,p. 2111 - 2118

Upstream Synthesis Route 2

95-16-9
1443440-54-7

56048-53-4

Reference: [1]Wu, Qian; Chen, Ying; Yan, Dingyuan; Zhang, Muyue; Lu, Yi; Sun, Wei-Yin; Zhao, Jing
[Chemical Science, 2016, vol. 8, # 1, p. 169 - 173]
[2]Li, Bijin; Lan, Jingbo; Wu, Di; You, Jingsong
[Angewandte Chemie - International Edition, 2015, vol. 54, # 47, p. 14008 - 14012][Angew. Chem., 2016]

Downstream Synthesis Route 1

56048-53-4
100-97-0

1870867-26-7

Reference: [1]Kroetz, Thais; Dos Santos, Marinalva C.; Beal, Roiney; Zanotto, Gabriel Modernell; Santos, Fabiano S.; Giacomelli, Fernando Carlos; Gonçalves, Paulo F. B.; De Lima, Vânia R.; Dal-Bó, Alexandre G.; Rodembusch, Fabiano S.
[Photochemical and Photobiological Sciences, 2019, vol. 18, # 5, p. 1171 - 1184]

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

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