4-Pyridinecarboxylicacid, 2-cyano-, methyl ester

• CAS: 94413-64-6
• Catalog Number: ACM94413646
• Category: Other Products
• Molecular Weight: 162.15
• Molecular Formula: C8H6 N2 O2
• Synonyms: 2-CYANO-4-PYRIDINE CARBOXYLIC ACID METHYL ESTER
• IUPAC Name: methyl 2-cyanopyridine-4-carboxylate
• Canonical SMILES: COC(=O)C1=CC(=NC=C1)C#N
• InChI Key: ORVHMLCJEKDDAX-UHFFFAOYSA-N
• Boiling Point: 296.6ºC at 760mmHg
• Flash Point: 133.2ºC
• Density: 1.25g/cm³
• Exact Mass: 162.04300
• H-Bond Acceptor: 4
• H-Bond Donor: 0

Synthetic Use

Upstream Synthesis Route 1

• 557-21-1
• 26156-48-9

• 94413-64-6

Reference: [1] Patent: US9139612, 2015, B2, . Location in patent: Page/Page column 153; 154; 159

Upstream Synthesis Route 2

• 773837-37-9
• 3783-38-8

• 94413-64-6

Reference: [1] Patent: CN104151297, 2016, B, . Location in patent: Paragraph 0039; 0040

Upstream Synthesis Route 3

• 3783-38-8
• 748101-41-9

• 94413-64-6

Reference: [1] Patent: CN104151297, 2016, B, . Location in patent: Paragraph 0037; 0038

Downstream Synthesis Route 1

• 94413-64-6

• 94413-69-1

Reference: [1]Patent: WO2013/127268,2013,A1 .Location in patent: Page/Page column 71; 72

Downstream Synthesis Route 2

• 94413-64-6

• 135048-32-7

Reference: [1]Patent: CN107573330,2018,A .Location in patent: Paragraph 0028; 0029; 0030; 0031; 0047; 0049; 0050-0063

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