2-Acetoxypropionyl chloride

Base Information

• Chemical Name: 2-Acetoxypropionyl chloride
• CAS No.: 38939-83-2
• Molecular Formula: C5H7ClO3
• Molecular Weight: 150.562
• Hs Code.: 2918199090
• DSSTox Substance ID: DTXSID60404126
• Nikkaji Number: J24.722G
• Mol file: 38939-83-2.mol

Synonyms:2-acetoxypropionyl chloride;38939-83-2;1-chloro-1-oxopropan-2-yl acetate;(1-chloro-1-oxopropan-2-yl) acetate;2-ACETOXYPROPIONYLCHLORIDE;2-acetoxypropanoyl chloride;MFCD18969061;O-acetyllactoyl chloride;SCHEMBL76021;DTXSID60404126;ALHZEIINTQJLOT-UHFFFAOYSA-N;1-Chloro-1-oxo-2-propyl Acetate;2-chloro-1-methyl-2-oxoethyl acetate;AB88345;(R)-1-chloro-1-oxopropan-2-yl acetate;acetic acid 1-chlorocarbonyl-ethyl ester;BS-28231;SY031589;FT-0605203;NS00008390;T70869

Chemical Property of 2-Acetoxypropionyl chloride

Chemical Property:

• Vapor Pressure: 2.02mmHg at 25°C
• Refractive Index: 1.4200-1.4240
• Boiling Point: 163.9oC at 760 mmHg
• Flash Point: 62.6oC
• PSA: 43.37000
• Density: 1.219g/cm3
• LogP: 0.70340
• Storage Temp.: 0-10°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 150.0083718
• Heavy Atom Count: 9
• Complexity: 132

Purity/Quality:

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

2-Acetoxypropionyl Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C(=O)Cl)OC(=O)C

Technology Process of 2-Acetoxypropionyl chloride

There total 2 articles about 2-Acetoxypropionyl chloride 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: 94.0%

2-acetoxypropionic acid (535-17-1) → 2-acetoxypropionyl chloride (38939-83-2)

Guidance literature:

With oxalyl dichloride; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

Reference yield: 52.0%

(L)-O-Acetyllactic acid (535-17-1,3853-80-3,6034-46-4,18668-00-3) → L-α-Acetoxypropionyl chloride (36394-75-9,38939-83-2,53636-19-4,55057-45-9)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In benzene; Ambient temperature;

DOI:10.1016/S0040-4020(01)86694-1

Reference yield: 95.0%

2-acetoxypropionyl chloride (38939-83-2) + 4-(5-Benzyloxy-cyclopent-1-enyl)-morpholine (101836-59-3) → Acetic acid 2-(3-benzyloxy-2-morpholin-4-yl-cyclopent-1-enyl)-1-methyl-2-oxo-ethyl ester (101836-60-6)

Guidance literature:

With triethylamine; In benzene; for 6h; Heating;

DOI:10.1021/ja00271a038

upstream raw materials:

2-acetoxypropionic acid

(L)-O-Acetyllactic acid

Downstream raw materials:

2-acetoxy-propionic acid octyl ester

O-acetyl-lactic acid amide

2-acetoxy-propionic acid dibutylamide

Refernces

• 1、 -. "AMINOPYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS". Paragraph 0617. . Retrieved 2019/07/13.
• 2、 -. "Novel bi-cyclic or tri-cyclic heterocyclic compound". Paragraph 4163 - 4165. . Retrieved 2016/10/07.