Structure

4,5,6,7-Tetrahydro-benzo[b]thiophene-2-carboxylic acid

CAS
40133-07-1
Catalog Number
ACM40133071
Category
Other Products
Molecular Weight
182.24
Molecular Formula
C9H10O2S

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Specification

Synonyms
Enamine_001826, Oprea1_686622, MLS000096433, MolPort-000-888-951, STK349487, HMS1399C22, ALBB-000244, SMR000061095, CID2063443, BAS 13134257, 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid, 4,5,6,7-Tetrahydro-benzo[b]thiophene-2-carboxylic acid, 40133-07-1
IUPAC Name
4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
SMILES
C1CCC2=C(C1)C=C(S2)C(=O)O
InChI Key
ROLXOQXKNDKXTA-UHFFFAOYSA-N
Boiling Point
368.1ºC at 760mmHg
Flash Point
176.4ºC
Exact Mass
182.04000
H-Bond Acceptor
2
H-Bond Donor
1

Upstream Synthesis Route 1

  • 124-38-9
  • 13129-17-4
  • 40133-07-1

Reference: [1] European Journal of Organic Chemistry, 2000, # 3, p. 425 - 437

Upstream Synthesis Route 2

  • 57021-52-0
  • 40133-07-1

Reference: [1] Bulletin de la Societe Chimique de France, 1953, p. 62,68, 713, 717
[2] Bulletin de la Societe Chimique de France, 1958, p. 359

Upstream Synthesis Route 3

  • 57021-52-0
  • 40133-07-1

Reference: [1]Bulletin de la Societe Chimique de France,1953,p. 62,68, 713, 717
[2]Bulletin de la Societe Chimique de France,1958,p. 359

Downstream Synthesis Route 1

  • 40133-07-1
  • 57021-58-6

Reference: [1] Bulletin de la Societe Chimique de France, 1953, p. 62,68, 713, 717

Downstream Synthesis Route 2

  • 40133-07-1
  • 57021-58-6

Reference: [1]Bulletin de la Societe Chimique de France,1953,p. 62,68, 713, 717

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

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