2-AMINO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE

• CAS: 4815-28-5
• Catalog Number: ACM4815285
• Category: Other Products
• Molecular Weight: 196.27
• Molecular Formula: C9H12N2OS
• Synonyms: Oprea1_259647, Oprea1_680034, MLS000057631, MLS000877452, ARONIS018154, IFLab1_000769, ZERO/005481, NSC153313, ALBB-001594, CID290223, STK097175, ZINC00035817, BAS 06761240, SMR000059907, 2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, AE-848/01456023, SR-01000403381-3, 4815-28-5, Benzo[b]thiophene-3-carboxamide, 2-amino-4,5,6,7-tetrahydro-, 2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid amide
• IUPAC Name: 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
• Canonical SMILES: C1CCC2=C(C1)C(=C(S2)N)C(=O)N
• InChI Key: FFAKFORHXDNYEN-UHFFFAOYSA-N
• Boiling Point: 332.5ºC at 760mmHg
• Flash Point: 154.9ºC
• Density: 1.337g/cm³
• Exact Mass: 196.06700
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 2
• H-Bond Donor: 2

Synthetic Use

Upstream Synthesis Route 1

• 108-94-1
• 107-91-5

• 4815-28-5

Reference: [1] Bioorganic and Medicinal Chemistry, 2016, vol. 24, # 21, p. 5556 - 5564

Upstream Synthesis Route 2

• 4651-91-6

• 4815-28-5

Reference: [1] Archiv der Pharmazie, 1981, vol. 314, # 2, p. 168 - 175
[2] Patent: WO2005/44008, 2005, A2, . Location in patent: Page/Page column 105-106
[3] Chemical and Pharmaceutical Bulletin, 2015, vol. 63, # 6, p. 450 - 456

Upstream Synthesis Route 3

• 107-91-5

• 4815-28-5

Reference: [1] European Journal of Medicinal Chemistry, 2018, vol. 150, p. 261 - 267

Upstream Synthesis Route 4

• 108-94-1
• 107-91-5

• 4815-28-5

Reference: [1]Samala, Ganesh; Brindha Devi, Parthiban; Saxena, Shalini; Gunda, Saritha; Yogeeswari, Perumal; Sriram, Dharmarajan
[Bioorganic and Medicinal Chemistry, 2016, vol. 24, # 21, p. 5556 - 5564]