Methyl 2-acetyl-4-methylpentanoate

Base Information

Chemical Name:Methyl 2-acetyl-4-methylpentanoate
CAS No.:51756-09-3
Molecular Formula:C9H16O3
Molecular Weight:172.224
Hs Code.:
European Community (EC) Number:811-590-1
DSSTox Substance ID:DTXSID201238927
Nikkaji Number:J113.157E
Mol file:51756-09-3.mol

Synonyms:Methyl 2-acetyl-4-methylpentanoate;51756-09-3;Pentanoic acid, 2-acetyl-4-methyl-, methyl ester;2-Acetyl-4-methylpentanoic acid methyl ester;SCHEMBL4135108;DTXSID201238927;Methyl 2-acetyl-4-methylpentanoate #;FT-0758880

Suppliers and Price of Methyl 2-acetyl-4-methylpentanoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of Methyl 2-acetyl-4-methylpentanoate

Chemical Property:

Vapor Pressure:36Pa at 25℃
Boiling Point:207.1±8.0 °C(Predicted)
PKA:11.84±0.46(Predicted)
PSA：43.37000
Density:0.965±0.06 g/cm3(Predicted)
LogP:1.41070
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:172.109944368
Heavy Atom Count:12
Complexity:173

Purity/Quality:: 99.9% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CC(C(=O)C)C(=O)OC
Uses Methyl 2-acetyl-4-methylpentanoate is a versatile building block used in various syntheses, such as redox-annulation with cyclic amines.

Technology Process of Methyl 2-acetyl-4-methylpentanoate

There total 4 articles about Methyl 2-acetyl-4-methylpentanoate 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: 5.0%

: 78-77-3
Isobutyl bromide

: 51756-09-3
methyl 2-acetyl-4-methylpentanoate

Guidance literature:: acetoacetic acid methyl ester; With sodium methylate; In methanol; for 0.25h; Heating / reflux;

Isobutyl bromide; In methanol; for 2h; Product distribution / selectivity; Heating / reflux;

Reference yield:

: 78-77-3
Isobutyl bromide

: 105-45-3
acetoacetic acid methyl ester

: 51756-09-3
methyl 2-acetyl-4-methylpentanoate

Guidance literature:: With sodium hydride; In N,N-dimethyl-formamide; toluene; mineral oil; at 20 - 100 ℃; for 8h;
DOI:10.1021/acs.orglett.6b00151

Reference yield:

: 105-45-3
acetoacetic acid methyl ester

: 51756-09-3
methyl 2-acetyl-4-methylpentanoate

Guidance literature:: acetoacetic acid methyl ester; With sodium hydride; In tetrahydrofuran; mineral oil; at 20 ℃; Inert atmosphere;

iso-butyl halide; In tetrahydrofuran; at 40 ℃; for 10h; Inert atmosphere;
DOI:10.1021/ja202070j