3-Hydroxy-4-methyl-5-propan-2-yloxolan-2-one

Base Information

Chemical Name:3-Hydroxy-4-methyl-5-propan-2-yloxolan-2-one
CAS No.:160741-81-1
Molecular Formula:C₈H₁₄O₃
Molecular Weight:158.197
Hs Code.:
DSSTox Substance ID:DTXSID601188001
Mol file:160741-81-1.mol

Synonyms:160741-81-1;3-hydroxy-4-methyl-5-propan-2-yloxolan-2-one;2(3H)-Furanone,dihydro-3-hydroxy-4-methyl-5-(1-methylethyl)-(9CI);3-Hydroxy-5-isopropyl-4-methyldihydrofuran-2(3H)-one;SCHEMBL7937980;DTXSID601188001;Dihydro-3-hydroxy-4-methyl-5-(1-methylethyl)-2(3H)-furanone

Suppliers and Price of 3-Hydroxy-4-methyl-5-propan-2-yloxolan-2-one

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-Hydroxy-4-methyl-5-propan-2-yloxolan-2-one

Chemical Property:

Boiling Point:258.1±15.0 °C(Predicted)
PKA:13.08±0.60(Predicted)
PSA：46.53000
Density:1.088±0.06 g/cm3(Predicted)
LogP:0.56480
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:158.094294304
Heavy Atom Count:11
Complexity:165

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1C(C(=O)OC1C(C)C)O

Technology Process of 3-Hydroxy-4-methyl-5-propan-2-yloxolan-2-one

There total 17 articles about 3-Hydroxy-4-methyl-5-propan-2-yloxolan-2-one 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: 97.0%

: 3-Hydroxy-5-isopropyl-4-methyl-5H-furan-2-one

: 160741-81-1,183387-39-5
(3S,4R,5R)-3-Hydroxy-5-isopropyl-4-methyl-dihydro-furan-2-one

Guidance literature:: With hydrogen; Rh/Al₂O₃; In methanol;
DOI:10.1021/ja00239a044

Reference yield:

: 183201-71-0
(2S,3S,4R)-4-benzyloxymethoxy-2-hydroxy-3,5-dimethylhexanoic acid methyl ester

: 160741-81-1,183387-39-5
(2S,3S,4R)-2-hydroxy-3-methyl-4-iso-propyl-4-butyrolactone

Guidance literature:: With hydrogen; palladium dihydroxide; In methanol; for 0.75h; under 2327.23 Torr;
DOI:10.1021/ja011452u

Reference yield:

: 640-68-6,25609-85-2,7004-03-7,921-10-8
D-Val-OH

: 160741-81-1,183387-39-5
(2S,3S,4R)-2-hydroxy-3-methyl-4-iso-propyl-4-butyrolactone

Guidance literature:: Multi-step reaction with 9 steps

1.1: NaNO₂; aq. H₂SO₄

2.1: 85 percent / iPr₂NEt / CH₂Cl₂ / 52 h / 20 °C

3.1: 87 percent / DIBAL-H / tetrahydrofuran / 3 h / 0 °C

4.1: oxalyl chloride; DMSO; diisopropylethylamine / CH₂Cl₂ / -55 - 130 °C

5.1: 7.0 g / CH₂Cl₂ / 14 h / 20 °C

6.1: 90 percent / TMSCl / tetrahydrofuran; diethyl ether / 3.5 h / -78 °C

7.1: KHMDS / tetrahydrofuran; toluene / 0.5 h / -78 °C

7.2: 80 percent / trans-2-phenyl-sulfonyl-3-phenyloxaziridine / tetrahydrofuran; toluene / 3 h / -78 °C

8.1: H₂ / Pd(OH)2/C / methanol / 0.75 h / 2327.23 Torr

With chloro-trimethyl-silane; oxalyl dichloride; sulfuric acid; hydrogen; potassium hexamethylsilazane; diisobutylaluminium hydride; dimethyl sulfoxide; N-ethyl-N,N-diisopropylamine; sodium nitrite; palladium dihydroxide; In tetrahydrofuran; methanol; diethyl ether; dichloromethane; toluene; 5.1: Swern oxidation;
DOI:10.1021/ja011452u