2-Methylbenzothiazole-5-carboxylic acid

• CAS: 24851-69-2
• Catalog Number: ACM24851692
• Category: Other Products
• Molecular Weight: 193.23
• Molecular Formula: C9H7NO2S
• Synonyms: 24851-69-2, 2-Methyl-benzothiazole-5-carboxylic acid, 2-Methylbenzo[d]thiazole-5-carboxylic acid, 2-methyl-1,3-benzothiazole-5-carboxylic acid, AC1LDLFR, SMR000015267, Sulfonamide derivative, 1, AC1Q2PD7, Ambcb4000015, SureCN1105986, MLS000030206, CTK0J4554, MolPort-002-499-021, HMS2396B08, ANW-56675, AKOS000320290, AG-A-44549, 2-methylbenzothiazole-5-carboxylic acid, 5-benzothiazolecarboxylic acid,2-methyl-, AK-78669
• IUPAC Name: 2-methyl-1,3-benzothiazole-5-carboxylic acid
• Canonical SMILES: CC1=NC2=C(S1)C=CC(=C2)C(=O)O
• InChI Key: TVUFPZOJUJGDDD-UHFFFAOYSA-N
• Boiling Point: 385.2ºC at 760 mmHg
• Flash Point: 186.8ºC
• Density: 1.43g/cm³
• Exact Mass: 193.02000
• H-Bond Acceptor: 4
• H-Bond Donor: 1

Synthetic Use

Upstream Synthesis Route 1

• 20061-46-5

• 24851-69-2

Reference: [1] Patent: EP1445249, 2004, A1, . Location in patent: Page 132

Upstream Synthesis Route 2

• 108-24-7
• 96-99-1

• 24851-69-2

Reference: [1] Angewandte Chemie - International Edition, 2006, vol. 45, # 47, p. 7942 - 7948
[2] Advanced Synthesis and Catalysis, 2016, vol. 358, # 2, p. 178 - 182
[3] Patent: WO2016/30443, 2016, A1, . Location in patent: Page/Page column 97

Upstream Synthesis Route 3

• 64-19-7
• 96-99-1

• 24851-69-2

Reference: [1] Journal of Medicinal Chemistry, 2009, vol. 52, # 21, p. 6757 - 6767

Upstream Synthesis Route 4

• 90418-93-2

• 24851-69-2

Reference: [1]Zhurnal Obshchei Khimii,1952,vol. 22,p. 2209,2214; engl. Ausg. S. 2267, 2271
[2]Patent: WO2006/68592,2006,A1 .Location in patent: Page/Page column 19
[3]Bioorganic and Medicinal Chemistry Letters,2012,vol. 22,p. 6205 - 6211

Upstream Synthesis Route 5

• 398-99-2

• 24851-69-2

Reference: [1]Zhurnal Obshchei Khimii,1952,vol. 22,p. 2209,2214; engl. Ausg. S. 2267, 2271

Downstream Synthesis Route 1

• 24851-69-2

• 573983-14-9

Reference: [1]Patent: DE602336,1933,

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