Ethyl 3-chloro-2-methylpropanoate

Base Information

• Chemical Name: Ethyl 3-chloro-2-methylpropanoate
• CAS No.: 922-29-2
• Molecular Formula: C6H11 Cl O2
• Molecular Weight: 150.605
• NSC Number: 60699
• DSSTox Substance ID: DTXSID60289410
• Mol file: 922-29-2.mol

Synonyms:ethyl 3-chloro-2-methylpropanoate;922-29-2;ethyl3-chloro-2-methylpropanoate;NSC60699;SCHEMBL7041660;DTXSID60289410;MFCD00045285;NSC 60699;NSC-60699;AKOS006275639;NS-01159

Chemical Property of Ethyl 3-chloro-2-methylpropanoate

Chemical Property:

• Vapor Pressure: 1.68mmHg at 25°C
• Boiling Point: 167.7°Cat760mmHg
• Flash Point: 60.9°C
• Density: 1.054g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 150.0447573
• Heavy Atom Count: 9
• Complexity: 93.1

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C)CCl

Technology Process of Ethyl 3-chloro-2-methylpropanoate

There total 4 articles about Ethyl 3-chloro-2-methylpropanoate 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:

ethyl cyclopropylcarboxylate (4606-07-9) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → Ethyl β-chloro-α-methylpropionate (922-29-2) + ethyl 2-methyl-3-phenylpropionate (34666-01-8) + 2,3-dihydro-2-methyl-1H-inden-1-one (17496-14-9) + 2-methyl-3-phenylpropanoic acid (1009-67-2)

Guidance literature:

aluminium trichloride; Mechanism; Product distribution; Ambient temperature;

DOI:10.1021/jo00331a046

Reference yield:

3-hydroxy-2-methyl-propionic acid ethyl ester (89534-52-1) → Ethyl β-chloro-α-methylpropionate (922-29-2)

Guidance literature:

With diethyl ether; phosphorus pentachloride; zuletzt auf dem Dampfbad;

Reference yield:

methyl methacrylate (97-63-2,9003-42-3) → Ethyl β-chloro-α-methylpropionate (922-29-2)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

3-hydroxy-2-methyl-propionic acid ethyl ester

methyl methacrylate

ethyl cyclopropylcarboxylate

benzene

Downstream raw materials:

methyl methacrylate