1-Oleoyl-3-chloropropanediol

Base Information

• Chemical Name: 1-Oleoyl-3-chloropropanediol
• CAS No.: 10311-82-7
• Molecular Formula: C₂₁H₃₉ClO₃
• Molecular Weight: 374.992
• UNII: ME300L04PH
• Wikidata: Q27283943
• Mol file: 10311-82-7.mol

Synonyms:1-OLEOYL-3-CHLOROPROPANEDIOL;10311-82-7;3-Chloro-2-hydroxypropyl oleate;rac 1-Oleoyl-3-chloropropanediol;(3-chloro-2-hydroxypropyl) (Z)-octadec-9-enoate;UNII-ME300L04PH;ME300L04PH;Oleic acid, 3-chloro-2-hydroxypropyl ester;C21H39ClO3;C21-H39-Cl-O3;3-Chloro-1,2-propanediol 1-Oleate;BP-29901;1,2-PROPANEDIOL, 3-CHLORO-, 1-OLEATE;Q27283943;9-OCTADECENOIC ACID (9Z)-, 3-CHLORO-2-HYDROXYPROPYL ESTER

Chemical Property of 1-Oleoyl-3-chloropropanediol

Chemical Property:

• Vapor Pressure: 4.53E-11mmHg at 25°C
• Boiling Point: 476.3°Cat760mmHg
• PKA: 12.75±0.20(Predicted)
• Flash Point: 241.8°C
• PSA: 46.53000
• Density: 0.982g/cm³
• LogP: 6.16680
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 7.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 19
• Exact Mass: 374.2587728
• Heavy Atom Count: 25
• Complexity: 318

Purity/Quality:

98%,99%, ^*data from raw suppliers

rac 1-Oleoyl-3-chloropropanediol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(CCl)O
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CCl)O
• Uses: New lipids in food protein hydrolyzates.

Technology Process of 1-Oleoyl-3-chloropropanediol

There total 1 articles about 1-Oleoyl-3-chloropropanediol 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:

(Z)-(oxiran-2-yl)methyl octadec-9-enoate (5431-33-4) → 1-oleoyl-3-chloro-1,2-propanediol (10311-82-7)

Guidance literature:

With tetrabutyl-ammonium chloride; trifluoroacetic acid; In chloroform; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1039/b915533c

Reference yield: 96.0%

(Z)-9-octadecenoyl chloride (112-77-6) + 1-oleoyl-3-chloro-1,2-propanediol (10311-82-7) → 1,2-di-oleoyl-3-chloropropanediol (69161-73-5,103667-51-2)

Guidance literature:

With dmap; tetrabutylammonium trifluoroacetate; In chloroform; at 20 ℃; for 0.25h;

DOI:10.1039/b915533c

upstream raw materials:

(Z)-(oxiran-2-yl)methyl octadec-9-enoate

Downstream raw materials:

1,2-di-oleoyl-3-chloropropanediol

Refernces