16-Cyanohexadecanoic acid

Base Information

• Chemical Name: 16-Cyanohexadecanoic acid
• CAS No.: 151276-58-3
• Molecular Formula: C17H31NO2
• Molecular Weight: 281.43400
• DSSTox Substance ID: DTXSID70597699
• Wikidata: Q82493333
• Mol file: 151276-58-3.mol

Synonyms:16-cyanohexadecanoic acid;151276-58-3;SCHEMBL1285460;DTXSID70597699;GWQPZRVGTYDCOY-UHFFFAOYSA-N

Chemical Property of 16-Cyanohexadecanoic acid

Chemical Property:

• Boiling Point: 445.0±18.0 °C(Predicted)
• PSA: 61.09000
• Density: 0.947±0.06 g/cm3(Predicted)
• LogP: 5.44608
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 15
• Exact Mass: 281.235479232
• Heavy Atom Count: 20
• Complexity: 267

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(CCCCCCCC#N)CCCCCCCC(=O)O

Technology Process of 16-Cyanohexadecanoic acid

There total 1 articles about 16-Cyanohexadecanoic acid 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:

methyl 16-bromohexadecanoate (26825-89-8) + sodium cyanide (143-33-9,25596-52-5) → 16-cyanohexadecanoic acid (151276-58-3) + methyl 16-cyanohexadecanoate (151276-57-2)

Guidance literature:

methyl 16-bromohexadecanoate; sodium cyanide; In 1-methyl-pyrrolidin-2-one; at 110 - 155 ℃; for 7h;

With hydrogenchloride; In 1-methyl-pyrrolidin-2-one; water; for 0.75h; pH=11;

upstream raw materials:

methyl 16-bromohexadecanoate

sodium cyanide

Refernces

• 1、 -. "NOVEL PEPTIDES FOR USE IN THE TREATMENT OF OBESITY". Page/Page column 79-80. . Retrieved 2008/06/13.