Benzo[b]thiophene-3-aceticacid,5-chloro-

• CAS: 17266-30-7
• Catalog Number: ACM17266307
• Category: Other Products
• Molecular Weight: 226.6794
• Molecular Formula: C₁₀H₇ClO₂S
• Synonyms: Maybridge4_002620, Oprea1_626164, BRN 1244795, 5-Chlorobenzo(b)thiophene-3-acetic acid, (5-Chloro-1-benzothien-3-yl)acetic acid, IDI1_032498, 5-Chlorobenzo[b]thiophene-3-acetic acid, Benzo(b)thiophene-3-acetic acid, 5-chloro-, LS-41120, ST5408153, 5-18-06-00448 (Beilstein Handbook Reference), AN-278/25047014, 17266-30-7
• IUPAC Name: 2-(5-chloro-1-benzothiophen-3-yl)acetic acid
• Canonical SMILES: C1=CC2=C(C=C1Cl)C(=CS2)CC(=O)O
• InChI Key: QQKKTOPRRGBBCT-UHFFFAOYSA-N
• Boiling Point: 410.6ºC at 760 mmHg
• Melting Point: 148ºC
• Flash Point: 202.1ºC
• Density: 1.487 g/cm³
• Exact Mass: 225.98600
• Hazard Statements: Xi:Irritant
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Safety Description: S26-S36

Synthetic Use

Upstream Synthesis Route 1

• 23799-60-2

• 17266-30-7

Reference: [1]Kukolja; Draheim; Pfeil; et al.
[Journal of Medicinal Chemistry, 1985, vol. 28, # 12, p. 1886 - 1896]

Downstream Synthesis Route 1

• 17266-30-7

• 100068-26-6

Reference: [1]Current Patent Assignee: KEZAR LIFE SCIENCES; UNIVERSITY OF CALIFORNIA - WO2019/46668, 2019, A1
Location in patent: Paragraph 00168
[2]Kukolja; Wright; Quay; Pfeil-Doyle; Draheim; Eudaly; Johnson; Ott; Counter; Cooper; Chauvette
[Journal of Medicinal Chemistry, 1988, vol. 31, # 10, p. 1987 - 1993]
[3]Kaila, Neelu; Janz, Kristin; Huang, Adrian; Moretto, Alessandro; DeBernardo, Silvano; Bedard, Patricia W.; Tam, Steve; Clerin, Valerie; Keith Jr., James C.; Tsao, Desirée H.H.; Sushkova, Natalia; Shaw, Gray D.; Camphausen, Raymond T.; Schaub, Robert G.; Wang, Qin
[Journal of Medicinal Chemistry, 2007, vol. 50, # 1, p. 40 - 64]
[4]Current Patent Assignee: PFIZER INC - US2005/101569, 2005, A1
Location in patent: Page/Page column 27

Downstream Synthesis Route 2

• 17266-30-7
• 122-51-0

• 17266-29-4

Reference: [1]Kukolja; Draheim; Pfeil; et al.
[Journal of Medicinal Chemistry, 1985, vol. 28, # 12, p. 1886 - 1896]

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