3-Cyano-4-isopropoxybenzoic acid

• CAS: 258273-31-3
• Catalog Number: ACM258273313
• Category: Other Products
• Molecular Weight: 205.21
• Molecular Formula: C₁₁H₁₁NO₃
• Synonyms: 3-CYANO-4-ISOPROPOXYBENZOIC ACID
• IUPAC Name: 3-cyano-4-propan-2-yloxybenzoic acid
• Canonical SMILES: CC(C)OC1=C(C=C(C=C1)C(=O)O)C#N
• InChI Key: FQGLEMDXDTZJMJ-UHFFFAOYSA-N
• Boiling Point: 371.39ºC at 760 mmHg
• Flash Point: 178.41ºC
• Density: 1.231g/cm³
• Exact Mass: 205.07400
• H-Bond Acceptor: 4
• H-Bond Donor: 1

Synthetic Use

Upstream Synthesis Route 1

• 213598-11-9

• 258273-31-3

Reference: [1] Patent: US2010/249071, 2010, A1, . Location in patent: Page/Page column 60-61

Upstream Synthesis Route 2

• 1261173-10-7

• 258273-31-3

Reference: [1] Patent: WO2011/5290, 2011, A1, . Location in patent: Page/Page column 52

Upstream Synthesis Route 3

• 99-76-3

• 258273-31-3

Reference: [1] Patent: WO2011/72488, 2011, A1,

Upstream Synthesis Route 4

• 213598-11-9

• 258273-31-3

Reference: [1]Patent: US2010/249071,2010,A1 .Location in patent: Page/Page column 60-61

Upstream Synthesis Route 5

• 14348-41-5

• 258273-31-3

Reference: [1]Current Patent Assignee: PFIZER INC - WO2011/5290, 2011, A1
[2]Current Patent Assignee: GLAXOSMITHKLINE PLC - WO2011/72488, 2011, A1
[3]Current Patent Assignee: GLAXOSMITHKLINE PLC - US2012/283297, 2012, A1

Downstream Synthesis Route 1

• 258273-31-3
• 67-56-1

• 213598-11-9

Reference: [1]Patent: WO2011/59784,2011,A1 .Location in patent: Page/Page column 142

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