3-Heptanone, 4-methyl-, (4S)-

Base Information

Chemical Name:3-Heptanone, 4-methyl-, (4S)-
CAS No.:51532-30-0
Molecular Formula:C8H16O
Molecular Weight:128.214
Hs Code.:
UNII:SNT65QN5WX,CB5TD5A4UB
DSSTox Substance ID:DTXSID90466419
Metabolomics Workbench ID:5486
Nikkaji Number:J1.796.290F
Wikidata:Q82292981
Mol file:51532-30-0.mol

Synonyms:3-Heptanone, 4-methyl-, (4S)-;51532-30-0;(4S)-4-METHYLHEPTAN-3-ONE;4S-Methylheptan-3-one;(s)-4-methyl-3-heptanone;(S)-4-Methylheptan-3-one;(S)-(+)-4-methyl-3-heptanone;51532-31-1;CB5TD5A4UB;SNT65QN5WX;(4R)-4-Methyl-3-heptanone;(4S)-4-Methyl-3-heptanone;SCHEMBL10890015;DTXSID90466419;4-Methylheptan-3-one, (4R)-;4-Methylheptan-3-one, (4S)-;CHEBI:195860;(R)-(-)-4-Methyl-3-heptanone;3-Heptanone, 4-methyl-, (4R)-;LMFA12000092

Suppliers and Price of 3-Heptanone, 4-methyl-, (4S)-

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 1 raw suppliers

Chemical Property of 3-Heptanone, 4-methyl-, (4S)-

Chemical Property:

Boiling Point:159.9±8.0 °C(Predicted)
PSA：17.07000
Density:0.811±0.06 g/cm3(Predicted)
LogP:2.40170
XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:128.120115130
Heavy Atom Count:9
Complexity:86.6

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC(C)C(=O)CC
Isomeric SMILES:CCC[C@H](C)C(=O)CC
Uses (S)-4-Methylheptan-3-one is a naturally occurring defensive compound.

Technology Process of 3-Heptanone, 4-methyl-, (4S)-

There total 27 articles about 3-Heptanone, 4-methyl-, (4S)- 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: 99.0%

: 915105-71-4
chichimol ketone

: 51532-30-0,70004-03-4
(S)-(+)-4-methylheptan-3-one

Guidance literature:: With palladium on activated charcoal; hydrogen; In ethyl acetate; at 20 ℃; for 12h; optical yield given as %ee;
DOI:10.1016/j.tetasy.2009.02.030

Reference yield: 83.0%

: 68509-48-8
(-)-(3S,4S)-4-Methyl-3-heptanol

: 51532-30-0,70004-03-4
(S)-(+)-4-methylheptan-3-one

Guidance literature:: With chromium(VI) oxide; sulfuric acid;
DOI:10.1016/S0040-4039(00)99939-8

Reference yield:

: 59983-39-0,187035-29-6
(S)-1-amino-2-(methoxymethyl)pyrrolidine

: 51532-30-0,70004-03-4
(S)-(+)-4-methylheptan-3-one

Guidance literature:: Multi-step reaction with 3 steps

1.1: diethyl ether; water / 60 °C / Inert atmosphere

2.1: diisopropylamine; n-butyllithium / diethyl ether; hexane / 4 h / 0 °C / Inert atmosphere

2.2: -110 °C / Inert atmosphere

3.1: ozone / dichloromethane / 4 h / -78 °C / Schlenk technique

With n-butyllithium; ozone; diisopropylamine; In diethyl ether; hexane; dichloromethane; water;
DOI:10.15227/orgsyn.065.0183