2,1,3-Benzothiadiazole-5-carbaldehyde

• CAS: 71605-72-6
• Catalog Number: ACM71605726
• Category: Other Products
• Molecular Weight: 164.18
• Molecular Formula: C₇H₄N₂OS
• Synonyms: 2,1,3-benzothiadiazole-5-carbaldehyde, 71605-72-6, benzo[c][1,2,5]thiadiazole-5-carbaldehyde, AG-G-80755, 2,1,3-Benzothiadiazole-5-Carboxaldehyde, ZINC00158661, AC1MCQUX, CTK2H6948, MolPort-000-142-370, 5-Formyl-2,1,3-benzothiadiazole, ALBB-007840, ANW-59626, SBB049064, STK504845, AKOS005072973, MCULE-4142375542, RP02364, AK-44933, BP-10366, KB-16112
• IUPAC Name: 2,1,3-benzothiadiazole-5-carbaldehyde
• Canonical SMILES: C1=CC2=NSN=C2C=C1C=O
• InChI Key: GEFIFDVQYCPLHC-UHFFFAOYSA-N
• Boiling Point: 306.728ºC at 760 mmHg
• Melting Point: 90-92ºC
• Flash Point: 139.305ºC
• Density: 1.477g/cm³
• Exact Mass: 164.00400
• Hazard Statements: Xi
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Safety Description: S24/25

Synthetic Use

Upstream Synthesis Route 1

• 89795-51-7

• 71605-72-6

Reference: [1] Medicinal Chemistry Research, 2015, vol. 24, # 8, p. 3143 - 3156
[2] Journal of Medicinal Chemistry, 2004, vol. 47, # 12, p. 3163 - 3179
[3] Patent: US6593335, 2003, B1,
[4] Patent: US2016/75702, 2016, A1, . Location in patent: Paragraph 0126-0129

Upstream Synthesis Route 2

• 65858-50-6

• 71605-72-6

Reference: [1] Journal of Medicinal Chemistry, 2004, vol. 47, # 12, p. 3163 - 3179
[2] Bulletin of the Chemical Society of Japan, 1959, vol. 32, p. 551
[3] Pharmaceutical Chemistry Journal, 1979, vol. 13, # 6, p. 591 - 598[4] Khimiko-Farmatsevticheskii Zhurnal, 1979, vol. 13, # 6, p. 33 - 41

Upstream Synthesis Route 3

• 1457-93-8

• 71605-72-6

Reference: [1] Journal of Medicinal Chemistry, 2004, vol. 47, # 12, p. 3163 - 3179
[2] Bulletin of the Chemical Society of Japan, 1959, vol. 32, p. 551

Upstream Synthesis Route 4

• 89795-51-7

• 71605-72-6

Reference: [1]Medicinal Chemistry Research,2015,vol. 24,p. 3143 - 3156
[2]Journal of Medicinal Chemistry,2004,vol. 47,p. 3163 - 3179
[3]Patent: US6593335,2003,B1
[4]Patent: US2016/75702,2016,A1 .Location in patent: Paragraph 0126-0129

Downstream Synthesis Route 1

• 17115-51-4
• 5220-49-5
• 71605-72-6

• 315187-64-5

Reference: [1]Journal of Medicinal Chemistry,2004,vol. 47,p. 3163 - 3179

Downstream Synthesis Route 2

• 21080-80-8
• 934-22-5
• 71605-72-6

• 1024609-37-7

Reference: [1]Patent: WO2008/55945,2008,A1 .Location in patent: Page/Page column 177

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