tert-Butyl 4-oxocyclohexanecarboxylate

• CAS: 38446-95-6
• Catalog Number: ACM38446956
• Category: Other Products
• Molecular Weight: 198.258820 [g/mol]
• Molecular Formula: C₁₁H₁₈O₃
• Synonyms: Cyclohexanecarboxylic acid, 4-oxo-, 1,1-dimethylethyl ester
• IUPAC Name: tert-butyl 4-oxocyclohexane-1-carboxylate
• Canonical SMILES: CC(C)(C)OC(=O)C1CCC(=O)CC1
• InChI Key: HYNBSBAWGATECV-UHFFFAOYSA-N
• Boiling Point: 271.5ºC at 760mmHg
• Flash Point: 113.8ºC
• Density: 1.042g/cm³
• Exact Mass: 198.12600
• H-Bond Acceptor: 3
• H-Bond Donor: 0

Synthetic Use

Upstream Synthesis Route 1

• 874-61-3
• 75-65-0

• 38446-95-6

Reference: [1] Biological and Pharmaceutical Bulletin, 1995, vol. 18, # 3, p. 407 - 410
[2] Patent: WO2017/17609, 2017, A1, . Location in patent: Paragraph 00215
[3] Patent: WO2017/51355, 2017, A1, . Location in patent: Paragraph 00217
[4] Patent: WO2013/163279, 2013, A1, . Location in patent: Paragraph 00382

Upstream Synthesis Route 2

• 874-61-3
• 24424-99-5

• 38446-95-6

Reference: [1] Patent: WO2014/146490, 2014, A1, . Location in patent: Page/Page column 150

Upstream Synthesis Route 3

• 17159-79-4

• 38446-95-6

Reference: [1] Biological and Pharmaceutical Bulletin, 1995, vol. 18, # 3, p. 407 - 410
[2] Patent: WO2013/163279, 2013, A1,
[3] Patent: WO2014/146490, 2014, A1,
[4] Patent: WO2017/17609, 2017, A1,
[5] Patent: WO2017/51355, 2017, A1,

Upstream Synthesis Route 4

• 874-61-3
• 75-65-0

• 38446-95-6

Reference: [1]Biological and Pharmaceutical Bulletin,1995,vol. 18,p. 407 - 410
[2]Patent: WO2017/17609,2017,A1 .Location in patent: Paragraph 00215
[3]Patent: WO2017/51355,2017,A1 .Location in patent: Paragraph 00217
[4]Patent: WO2013/163279,2013,A1 .Location in patent: Paragraph 00382

Downstream Synthesis Route 1

• 38446-95-6
• 873-74-5

• 333986-52-0

Reference: [1]Patent: EP2202232,2010,A1 .Location in patent: Page/Page column 37; 38

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