Benzo[b]thiophene-2-carboxylicacid, 5-fluoro-

CAS

70060-13-8

Catalog Number

ACM70060138

Category

Other Products

Molecular Weight

196.1982

Molecular Formula

C9H5 F O2 S

MSDS COA Spec Sheet

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Specification

Synonyms

ZINC00480694, CID6953387, 70060-13-8

IUPAC Name

5-fluoro-1-benzothiophene-2-carboxylate

Canonical SMILES

C1=CC2=C(C=C1F)C=C(S2)C(=O)O

InChI Key

PLVPMOSTGNZKQQ-UHFFFAOYSA-M

Boiling Point

379.4ºC at 760 mmHg

Melting Point

240-243ºC

Flash Point

183.2ºC

Density

1.511 g/cm³

Exact Mass

195.99900

Hazard Statements

H-Bond Acceptor

H-Bond Donor

Upstream Synthesis Route 1

13771-69-2

70060-13-8

Reference: [1]Matsunaga, Nobuyuki; Kaku, Tomohiro; Itoh, Fumio; Tanaka, Toshimasa; Hara, Takahito; Miki, Hiroshi; Iwasaki, Masahiko; Aono, Tetsuya; Yamaoka, Masuo; Kusaka, Masami; Tasaka, Akihiro
[Bioorganic and medicinal chemistry, 2004, vol. 12, # 9, p. 2251 - 2273]
[2]Cheng, Kui; Wang, Xiaohui; Yin, Hang
[Journal of the American Chemical Society, 2011, vol. 133, # 11, p. 3764 - 3767]
[3]Current Patent Assignee: UNIVERSITY OF COLORADO (SYSTEM) - WO2012/99785, 2012, A2
Location in patent: Page/Page column 35

Downstream Synthesis Route 1

70060-13-8

70060-12-7

Reference: [1]Terzić, Natasa; Konstantinović, Jelena; Tot, Mikloš; Burojević, Jovana; Djurković-Djaković, Olgica; Srbljanović, Jelena; Štajner, Tijana; Verbić, Tatjana; Zlatović, Mario; Machado, Marta; Albuquerque, Inês S.; Prudêncio, Miguel; Sciotti, Richard J.; Pecic, Stevan; D'Alessandro, Sarah; Taramelli, Donatella; Šolaja, Bogdan A.
[Journal of Medicinal Chemistry, 2016, vol. 59, # 1, p. 264 - 281]
[2]Matsunaga, Nobuyuki; Kaku, Tomohiro; Itoh, Fumio; Tanaka, Toshimasa; Hara, Takahito; Miki, Hiroshi; Iwasaki, Masahiko; Aono, Tetsuya; Yamaoka, Masuo; Kusaka, Masami; Tasaka, Akihiro
[Bioorganic and medicinal chemistry, 2004, vol. 12, # 9, p. 2251 - 2273]

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

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