2-CHLOROMETHYL-5-PHENYL-[1,3,4]OXADIAZOLE

CAS

33575-83-6

Catalog Number

ACM33575836

Category

Other Products

Molecular Weight

194.61

Molecular Formula

C9H7ClN2O

MSDS COA Spec Sheet

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Specification

Synonyms

Enamine_005035, MLS000564019, NSC235938, ZERO/005934, CID314941, ZINC00347152, IDI1_007622, 2-Chloromethyl-5-phenyl-[1,3,4]oxadiazole, BAS 00758909, SMR000175986, 2-Chloromethyl-5-phenyl-1,3,4-oxadiazole, A4142/0176503, 33575-83-6

IUPAC Name

2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole

Canonical SMILES

C1=CC=C(C=C1)C2=NN=C(O2)CCl

InChI Key

AGLNTFQAHIRTFA-UHFFFAOYSA-N

Boiling Point

316.9ºC at 760mmHg

Melting Point

119-121ºC

Flash Point

145.5ºC

Density

1.283g/cm³

Exact Mass

194.02500

H-Bond Acceptor

H-Bond Donor

Upstream Synthesis Route 1

50677-24-2

33575-83-6

Reference: [1]Fang, Lincheng; Tian, Jiping; Zhang, Kaixuan; Zhang, Xiaoyi; Liu, Yingqiao; Cheng, Zhibo; Zhou, Jinpei; Zhang, Huibin
[Bioorganic and Medicinal Chemistry, 2021, vol. 46]

Upstream Synthesis Route 2

79-11-8
18039-42-4

33575-83-6

Reference: [1]Povazanec, Frantisek; Kovac, Jaroslav; Svoboda, Jozef
[Collection of Czechoslovak Chemical Communications, 1980, vol. 45, # 4, p. 1299 - 1300]
[2]Huisgen,R. et al.
[Chemische Berichte, 1960, vol. 93, p. 2106 - 2124]

Downstream Synthesis Route 1

33575-83-6

70390-97-5

Reference: [1]Current Patent Assignee: FORUM PHARMACEUTICALS INC - WO2015/66371, 2015, A1
Location in patent: Paragraph 00258-00259
[2]Kristinsson,H.
[Synthesis, 1979, p. 102 - 103]

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

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