Benzo[b]thiophene-2-carbonylchloride, 3-chloro-

• CAS: 21815-91-8
• Catalog Number: ACM21815918
• Category: Other Products
• Molecular Weight: 231.1g/mol
• Molecular Formula: C9H4Cl2OS
• IUPAC Name: 3-chloro-1-benzothiophene-2-carbonyl chloride
• Canonical SMILES: C1=CC=C2C(=C1)C(=C(S2)C(=O)Cl)Cl
• InChI: InChI=1S/C9H4Cl2OS/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H
• InChI Key: GWKSSMDJEWPKCM-UHFFFAOYSA-N
• Complexity: 222
• Covalently-Bonded Unit Count: 1
• Exact Mass: 229.935991g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 13
• Monoisotopic Mass: 229.935991g/mol
• Rotatable Bond Count: 1
• XLogP3: 4.4

Synthetic Use

Upstream Synthesis Route 1

• 140-10-3

• 21815-91-8

Reference: [1]Sidorenko, T.N.; Terent'eva, G.A.; Raida, V.S.; Andrienko, O.S.; Savinykh, Yu.V.; Aksenov, V.S.
[Chemistry of Heterocyclic Compounds, 1982, vol. 18, # 12, p. 1246 - 1250][Khimiya Geterotsiklicheskikh Soedinenii, 1982, vol. 18, # 12, p. 1618 - 1622]

Upstream Synthesis Route 2

• 621-82-9

• 21815-91-8

Reference: [1]Location in patent: experimental part
Tarighi, Sara; Abbasi, Alireza; Zamanian, Sara; Badiei, Alireza; Ghoranneviss, Mahmood
[Journal of Chemical Research, 2009, # 7, p. 437 - 439]

Downstream Synthesis Route 1

• 21815-91-8
• 1892-54-2

• 496806-12-3

Reference: [1]Journal of Heterocyclic Chemistry,1993,vol. 30,p. 453 - 460

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