1-Chloro-3,3-dihydroxyhenicosan-4-one

Base Information

• Chemical Name: 1-Chloro-3,3-dihydroxyhenicosan-4-one
• CAS No.: 22094-20-8
• Molecular Formula: C21H41 Cl O3
• Molecular Weight: 377
• Hs Code.: 2915709000
• DSSTox Substance ID: DTXSID70695806
• Wikidata: Q82625125
• Mol file: 22094-20-8.mol

Synonyms:1-chloro-3,3-dihydroxyhenicosan-4-one;DTXSID70695806;AKOS030255964;FT-0674652

Chemical Property of 1-Chloro-3,3-dihydroxyhenicosan-4-one

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 36-37°C
• Refractive Index: 1.466
• Boiling Point: 470.307°C at 760 mmHg
• Flash Point: 238.233°C
• PSA: 46.53000
• Density: 0.972g/cm³
• LogP: 6.39080
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 7.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 19
• Exact Mass: 376.2744229
• Heavy Atom Count: 25
• Complexity: 306

Purity/Quality:

97% ^*data from raw suppliers

1-Stearoyl-3-chloropropanediol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)C(CCCl)(O)O
• Uses: New lipids in food protein hydrolyzates.

Technology Process of 1-Chloro-3,3-dihydroxyhenicosan-4-one

There total 3 articles about 1-Chloro-3,3-dihydroxyhenicosan-4-one 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: 80.0%

stearic acid (57-11-4) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → 1-stearoyl-3-chloro-1,2-propanediol (22094-20-8)

Guidance literature:

With tetrabutylammomium bromide; In ethanol; at 85 ℃; for 15h;

DOI:10.2174/1570178612666150629181035

Reference yield:

3-monochloro-1,2-propanediol (96-24-2) + Stearoyl chloride (112-76-5) → 1-stearoyl-3-chloro-1,2-propanediol (22094-20-8)

Guidance literature:

With potassium hydroxide;

Reference yield:

→ 1-stearoyl-3-chloro-1,2-propanediol (22094-20-8)

Guidance literature:

Epichlorhydrin, Na-stearat (PhCH2NMe3Cl; anscheinend Gemisch Stearinsaeure-(2-chlor-3-hydroxy-propylester) /BRN= 882951/ u.a. Verbb.);

DOI:10.1021/jo01066a018

upstream raw materials:

3-monochloro-1,2-propanediol

Stearoyl chloride

stearic acid

epichlorohydrin