Propyl 2-chlorobutanoate

Base Information

• Chemical Name: Propyl 2-chlorobutanoate
• CAS No.: 62108-71-8
• Molecular Formula: C₇H₁₃ClO₂
• Molecular Weight: 164.632
• DSSTox Substance ID: DTXSID20977700
• Mol file: 62108-71-8.mol

Synonyms:Propyl 2-chlorobutanoate;62108-71-8;n-Propyl 2-chlorobutyrate;Butanoic acid, 2-chloro-, propyl ester;SCHEMBL5613192;DTXSID20977700;NZHZYDSYLLWKOK-UHFFFAOYSA-N

Chemical Property of Propyl 2-chlorobutanoate

Chemical Property:

• Vapor Pressure: 0.73mmHg at 25°C
• Boiling Point: 184.5°Cat760mmHg
• Flash Point: 74.5°C
• Density: 1.033g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 164.0604073
• Heavy Atom Count: 10
• Complexity: 104

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC(=O)C(CC)Cl

Technology Process of Propyl 2-chlorobutanoate

There total 2 articles about Propyl 2-chlorobutanoate 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:

3-chloro-4-heptanone (61295-52-1) → 2-chloro-butyric acid propyl ester (62108-71-8)

Guidance literature:

With sodium hydrogencarbonate; 3-chloro-benzenecarboperoxoic acid; In chloroform; at 20 ℃; for 432h;

DOI:10.1021/jo0513966

Reference yield:

propan-1-ol (71-23-8) → 2-chloro-butyric acid propyl ester (62108-71-8)

Guidance literature:

With hydrogenchloride;

Reference yield:

2-chloro-butyric acid propyl ester (62108-71-8) + benzaldehyde (100-52-7) → 2-ethyl-2,3-epoxy-3-phenyl-propionic acid propyl ester

Guidance literature:

With diethyl ether; sodium methylate;

DOI:10.1021/ja01214a602

upstream raw materials:

propan-1-ol

3-chloro-4-heptanone