2-Hexanone, 4-hydroxy-5,5-dimethyl-, (4S)-

Base Information

Chemical Name:2-Hexanone, 4-hydroxy-5,5-dimethyl-, (4S)-
CAS No.:197454-20-9
Molecular Formula:C8H16O2
Molecular Weight:144.214
Hs Code.:
DSSTox Substance ID:DTXSID10467584
Nikkaji Number:J1.049.268H
Wikidata:Q82294597
Mol file:197454-20-9.mol

Synonyms:197454-20-9;2-Hexanone, 4-hydroxy-5,5-dimethyl-, (4S)-;2-Hexanone, 4-hydroxy-5,5-dimethyl-, (4S)- (9CI);(4S)-4-HYDROXY-5,5-DIMETHYLHEXAN-2-ONE;SCHEMBL6448085;DTXSID10467584

Suppliers and Price of 2-Hexanone, 4-hydroxy-5,5-dimethyl-, (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 3 raw suppliers

Chemical Property of 2-Hexanone, 4-hydroxy-5,5-dimethyl-, (4S)-

Chemical Property:

Boiling Point:212.7±13.0 °C(Predicted)
PKA:14.50±0.20(Predicted)
PSA：37.30000
Density:0.926±0.06 g/cm3(Predicted)
LogP:1.37250
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:144.115029749
Heavy Atom Count:10
Complexity:122

Purity/Quality:: 99%, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)CC(C(C)(C)C)O
Isomeric SMILES:CC(=O)C[C@@H](C(C)(C)C)O

Technology Process of 2-Hexanone, 4-hydroxy-5,5-dimethyl-, (4S)-

There total 1 articles about 2-Hexanone, 4-hydroxy-5,5-dimethyl-, (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:

: 630-19-3
pivalaldehyde

: 93714-15-9
(4R,5S)-2,2,4-Trimethyl-5-phenyl-oxazolidine

: 37577-28-9,58550-13-3,757124-50-8
(1S,2R)-(+)-norphedrine

: 101713-95-5,93644-75-8
(+)-(R)-4-hydroxy-5,5-dimethylhexan-2-one

: 197454-20-9
(S)-5,5-dimethyl-4-hydroxyhexan-2-one

Guidance literature:: Yield given. Multistep reaction. Title compound not separated from byproducts;
DOI:10.1246/cl.1984.1399

Reference yield: 99.0%

: 100-52-7
benzaldehyde

: 197454-20-9
(S)-5,5-dimethyl-4-hydroxyhexan-2-one

: 1385634-54-7
(3S,5R)-5-hydroxy-2,2-dimethylhexan-3-yl benzoate

Guidance literature:: With samarium diiodide; In tetrahydrofuran; at -10 ℃; for 2h; stereoselective reaction; Inert atmosphere;
DOI:10.1021/jo301121f