5-Methyl-4-hexanolide

Base Information

Chemical Name:5-Methyl-4-hexanolide
CAS No.:38624-29-2
Molecular Formula:C7H12O2
Molecular Weight:128.16900
Hs Code.:
UNII:RTZ80RVT6C
DSSTox Substance ID:DTXSID20538911
Nikkaji Number:J3.485.758J
Wikidata:Q27288288

Synonyms:5-Methyl-4-hexanolide;38624-29-2;4-Isopropyl-4-butanolide;UNII-RTZ80RVT6C;RTZ80RVT6C;Dihydro-5-isopropyl-2(3H)-furanone;2(3H)-Furanone, dihydro-5-(1-methylethyl)-;gamma-Isopropyl-gamma-butyrolactone;5-isopropyldihydrofuran-2(3H)-one;Hexanoic acid, 4-hydroxy-5-methyl-, gamma-lactone;SCHEMBL1107367;5-(Propan-2-yl)oxolan-2-one;gamma-ISOPROPYLBUTYROLACTONE;DTXSID20538911;5-isopropyl-tetrahydro-furan-2-one;5-isopropyldihydro-2(3H)-furanone;dihydro-5-isopropyl-3(2H)-furanone;.GAMMA.-ISOPROPYLBUTYROLACTONE;AKOS015905173;.GAMMA.-ISOPROPYL-.GAMMA.-BUTYROLACTONE;Q27288288;HEXANOIC ACID, 4-HYDROXY-5-METHYL-, .GAMMA.-LACTONE

Suppliers and Price of 5-Methyl-4-hexanolide

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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Total 0 raw suppliers

Chemical Property of 5-Methyl-4-hexanolide

Chemical Property:

Boiling Point:100 °C(Press: 4 Torr)
PSA：26.30000
Density:0.998±0.06 g/cm3(Predicted)
LogP:1.34800
XLogP3:1.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:128.083729621
Heavy Atom Count:9
Complexity:118

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C1CCC(=O)O1

Technology Process of 5-Methyl-4-hexanolide

There total 1 articles about 5-Methyl-4-hexanolide 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:

: 5636-65-7
5-methyl-4-hexenoic acid

: 38624-29-2
γ-isopropyl-γ-butyrolactone

: 2610-95-9
6,6-dimethyltetrahydro-2H-pyran-2-one

Guidance literature:: With calcium(II) bis(trifluoromethanesulfonyl)imide; tert-butylammonium hexafluorophosphate(V); at 80 ℃; for 2h; Overall yield = 94 percent; Overall yield = 23.5 mg; Sealed tube;
DOI:10.1021/acs.orglett.9b02705

Reference yield: 54.0%

: 38624-29-2
γ-isopropyl-γ-butyrolactone

: 13307-75-0
(phenylthio)methyllithium

: 173310-51-5
2-methyl-6-oxo-7-(phenylthio)heptan-3-ol

Guidance literature:: In tetrahydrofuran; at -78 ℃; for 2h;
DOI:10.1021/jo00131a013

Reference yield:

: 38624-29-2
γ-isopropyl-γ-butyrolactone

: 173310-55-9
2-methyl-7-(phenylthio)-3,6-heptandione

Guidance literature:: Multi-step reaction with 2 steps

1: 54 percent / tetrahydrofuran / 2 h / -78 °C

2: 1.) (COCl)2, DMSO, 2.) Et₃N / 1.) CH₂Cl₂, -78 deg C, 15 min, 2.) -78 deg C -> room temperature

With oxalyl dichloride; dimethyl sulfoxide; triethylamine; In tetrahydrofuran;
DOI:10.1021/jo00131a013