1-Chloro-3-hydroxypropan-2-YL hexadecanoate

Base Information

• Chemical Name: 1-Chloro-3-hydroxypropan-2-YL hexadecanoate
• CAS No.: 20618-92-2
• Molecular Formula: C₁₉H₃₇ClO₃
• Molecular Weight: 348.954
• Hs Code.: 2915709000
• DSSTox Substance ID: DTXSID60502277
• Nikkaji Number: J2.932.407G
• Mol file: 20618-92-2.mol

Synonyms:20618-92-2;rac 2-Palmitoyl-3-chloropropanediol;(1-chloro-3-hydroxypropan-2-yl) hexadecanoate;1-CHLORO-3-HYDROXYPROPAN-2-YL HEXADECANOATE;DTXSID60502277;1-Chloro-3-hydroxypropan-2-yl palmitate;FT-0673482

Chemical Property of 1-Chloro-3-hydroxypropan-2-YL hexadecanoate

Chemical Property:

• PSA: 46.53000
• LogP: 5.61060
• Storage Temp.: -20?C Freezer
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 7.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 18
• Exact Mass: 348.2431227
• Heavy Atom Count: 23
• Complexity: 259

Purity/Quality:

99.90% ^*data from raw suppliers

rac 2-Palmitoyl-3-chloropropanediol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OC(CO)CCl
• Uses: Fatty acid ester with glycerol chlorohydrins shows mutagenic activity.

Technology Process of 1-Chloro-3-hydroxypropan-2-YL hexadecanoate

There total 3 articles about 1-Chloro-3-hydroxypropan-2-YL hexadecanoate 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: 64.0%

3-monochloro-1,2-propanediol (96-24-2) + n-hexadecanoyl chloride (112-67-4) → 3?monochloropropane 1,2-diol dipalmitate (51930-97-3) + 1-palmitoyl-3-chloro-1,2-propanediol (30557-04-1) + rac-2-palmitoyl-3-chloropropanediol (20618-92-2)

Guidance literature:

With pyridine; at 20 ℃; for 2h;

DOI:10.1007/s11746-011-1802-3

Reference yield:

3-Chlor-2-O-palmitoyl-1-O-trityl-propan-1,2-diol (69161-79-1) → rac-2-palmitoyl-3-chloropropanediol (20618-92-2)

Guidance literature:

With boric acid; silica gel;

Reference yield:

oxiranyl-methanol (556-52-5) + n-hexadecanoyl chloride (112-67-4) → rac-2-palmitoyl-3-chloropropanediol (20618-92-2)

Guidance literature:

upstream raw materials:

3-Chlor-2-O-palmitoyl-1-O-trityl-propan-1,2-diol

oxiranyl-methanol

n-hexadecanoyl chloride

3-monochloro-1,2-propanediol