Methyl 5-methylheptanoate

Base Information

Chemical Name:Methyl 5-methylheptanoate
CAS No.:89986-46-9
Molecular Formula:C9H18O2
Molecular Weight:158.241
Hs Code.:
DSSTox Substance ID:DTXSID00529160

Synonyms:METHYL 5-METHYLHEPTANOATE;89986-46-9;Methyl-5-methyl heptanoate;SCHEMBL14956983;DTXSID00529160;HZOIXYISXJHGBI-UHFFFAOYSA-N

Suppliers and Price of Methyl 5-methylheptanoate

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
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price

Total 0 raw suppliers

Chemical Property of Methyl 5-methylheptanoate

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:158.130679813
Heavy Atom Count:11
Complexity:110

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(C)CCCC(=O)OC

Technology Process of Methyl 5-methylheptanoate

There total 1 articles about Methyl 5-methylheptanoate 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: 66.0%

: 10422-35-2,99032-67-4,534-00-9,5973-11-5
1-bromo-2-methyl-butane

: 292638-85-8,9003-21-8,96-33-3
acrylic acid methyl ester

: 89986-46-9
methyl 5-methylheptanoate

Guidance literature:: 1-bromo-2-methyl-butane; With magnesium;

acrylic acid methyl ester; With dmap; chloro-trimethyl-silane; copper(I) bromide dimethylsulfide complex; In tetrahydrofuran; at -78 ℃; for 3.5h;
DOI:10.3762/bjoc.7.200

Reference yield: 94.0%

: 89986-46-9
methyl 5-methylheptanoate

: 7212-53-5
5-methyl-1-heptanol

Guidance literature:: With lithium aluminium tetrahydride; In diethyl ether;

Reference yield:

: 89986-46-9
methyl 5-methylheptanoate

: 5129-64-6
8-methyldecanoic acid methyl ester

Guidance literature:: Multi-step reaction with 3 steps

1.1: lithium aluminium tetrahydride / diethyl ether / 12 h / Reflux

2.1: bromine; triphenylphosphine / dichloromethane / 2 h / 0 °C

3.1: magnesium

3.2: 3.5 h / -78 °C

With lithium aluminium tetrahydride; bromine; magnesium; triphenylphosphine; In diethyl ether; dichloromethane;
DOI:10.3762/bjoc.7.200