2-Methyl-1,3-thiazole-5-carboxylic acid

• CAS: 40004-69-1
• Catalog Number: ACM40004691
• Category: Other Products
• Molecular Weight: 143.1637
• Molecular Formula: C₅H₅NO₂S
• Synonyms: 2-Methyl-5-thiazolecarboxylic acid, 5-Thiazolecarboxylic acid, 2-methyl-, RU 21933, CID98845, NSC170606, BBV-5108737, LS-150886, M80004, 40004-69-1
• IUPAC Name: 2-methyl-1,3-thiazole-5-carboxylic acid
• Canonical SMILES: CC1=NC=C(S1)C(=O)O
• InChI Key: QCXCIYPOMMIBHO-UHFFFAOYSA-N
• Boiling Point: 301.2ºC at 760mmHg
• Flash Point: 136ºC
• Density: 1.418g/cm³
• Exact Mass: 143.00400
• Hazard Statements: Xi
• H-Bond Acceptor: 3
• H-Bond Donor: 1

Synthetic Use

Upstream Synthesis Route 1

• 79836-78-5

• 40004-69-1

Reference: [1] Journal of the American Chemical Society, 2016, vol. 138, # 44, p. 14639 - 14649

Upstream Synthesis Route 2

• 3581-87-1
• 124-38-9

• 40004-69-1

Reference: [1] Bulletin de la Societe Chimique de France, 1967, p. 4134 - 4143

Upstream Synthesis Route 3

• 79836-78-5

• 40004-69-1

Reference: [1]Journal of the American Chemical Society,2016,vol. 138,p. 14639 - 14649

Downstream Synthesis Route 1

• 40004-69-1
• 1148157-34-9

• 935888-69-0

Reference: [1] Journal of Medicinal Chemistry, 2009, vol. 52, # 9, p. 3028 - 3038

Downstream Synthesis Route 2

• 40004-69-1
• 62-53-3

• 91137-85-8

Reference: [1]Journal of general chemistry of the USSR,1961,vol. 31,p. 2444 - 2448
Zhurnal Obshchei Khimii,1961,vol. 31,p. 2618 - 2623

Downstream Synthesis Route 3

• 40004-69-1
• 62-53-3

• 95074-54-7

Reference: [1]Journal of general chemistry of the USSR,1961,vol. 31,p. 2444 - 2448
Zhurnal Obshchei Khimii,1961,vol. 31,p. 2618 - 2623

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