cis-9-Octadecenoic acid, picolinyl ester

Base Information

• Chemical Name: cis-9-Octadecenoic acid, picolinyl ester
• CAS No.: 82120-92-1
• Molecular Formula: C₂₄H₃₉NO₂
• Molecular Weight: 373.579
• DSSTox Substance ID: DTXSID601346223
• Nikkaji Number: J46.063J
• Mol file: 82120-92-1.mol

Synonyms:82120-92-1;cis-9-Octadecenoic acid, picolinyl ester;FBPJZADLPOSZEO-KTKRTIGZSA-N;DTXSID601346223;3-Pyridinylmethyl (9Z)-9-octadecenoate;3-PYRIDYLMETHYL OCTADEC-9-ENOATE;Q63392766

Chemical Property of cis-9-Octadecenoic acid, picolinyl ester

Chemical Property:

• PSA: 39.19000
• LogP: 7.16230
• XLogP3: 8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 18
• Exact Mass: 373.298079487
• Heavy Atom Count: 27
• Complexity: 367

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC1=CN=CC=C1
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCC1=CN=CC=C1

Technology Process of cis-9-Octadecenoic acid, picolinyl ester

There total 3 articles about cis-9-Octadecenoic acid, picolinyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

cis-Octadecenoic acid (112-80-1,2027-47-6) → 3-picolinyl oleate (82120-92-1)

Guidance literature:

Multi-step reaction with 2 steps

1: oxalyl dichloride / dichloromethane / 0.08 h / 65 °C

2: acetonitrile / 0.08 h / 20 °C

With oxalyl dichloride; In dichloromethane; acetonitrile;

DOI:10.1021/ac103093w

Reference yield:

3-hydroxymethylpyridin (100-55-0) + (Z)-9-octadecenoyl chloride (112-77-6) → 3-picolinyl oleate (82120-92-1)

Guidance literature:

In acetonitrile; at 20 ℃; for 0.0833333h;

DOI:10.1021/ac103093w

Reference yield:

3-hydroxymethylpyridin (100-55-0) + cis-Octadecenoic acid (112-80-1,2027-47-6) → 3-picolinyl oleate (82120-92-1)

Guidance literature:

With 1,1'-carbonyldiimidazole; In dichloromethane;

DOI:10.1002/oms.1210271115

upstream raw materials:

3-hydroxymethylpyridin

cis-Octadecenoic acid

(Z)-9-octadecenoyl chloride