2-Methylhexano-6-lactone

Base Information

Chemical Name:2-Methylhexano-6-lactone
CAS No.:2549-61-3
Molecular Formula:C7H12 O2
Molecular Weight:128.171
Hs Code.:2932209090
European Community (EC) Number:607-737-2
DSSTox Substance ID:DTXSID50927536
Nikkaji Number:J329.705E
Wikidata:Q27105324
Metabolomics Workbench ID:52819
Mol file:2549-61-3.mol

Synonyms:2-methylhexano-6-lactone;2-Oxepanone, methyl-;3-methyloxepan-2-one;Methyl-xi-caprolactone;2549-61-3;1-Oxa-2-oxo-3-methylcycloheptane;NSC 36607;1321-18-2;2-methylcaprolactone;3-Methyl-2-oxepanone;3-methyl-oxepan-2-one;SCHEMBL50193;CHEBI:663;alpha-Methyl-epsilon-caprolacton;DTXSID50927536;LS-100942;Q27105324

Suppliers and Price of 2-Methylhexano-6-lactone

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 4 raw suppliers

Chemical Property of 2-Methylhexano-6-lactone

Chemical Property:

Vapor Pressure:0.0765mmHg at 25°C
Boiling Point:227.7°C at 760 mmHg
Flash Point:86°C
PSA：26.30000
Density:0.973g/cm³
LogP:1.34960
XLogP3:1.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:128.083729621
Heavy Atom Count:9
Complexity:110

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CCCCOC1=O

Technology Process of 2-Methylhexano-6-lactone

There total 1 articles about 2-Methylhexano-6-lactone 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: 34.0%

: 5-hexenyl xanthenoate

: 539-87-7
oxocan-2-one

: 32821-68-4,103957-83-1
3-ethyl-tetrahydro-pyran-2-one

: 629-33-4
hexyl formate

: 2549-61-3
3-methylcaprolactone

Guidance literature:: In ethanol; Irradiation;
DOI:10.1016/S0040-4039(01)01296-5

Reference yield:

: 2549-61-3
3-methylcaprolactone

: 137305-54-5,144880-35-3,144880-37-5
methyl (+/-)-(3aR*,4S*,5S*,7aS*)-3a,4,5,6,7,7a-hexahydro-7a-methyl-7-oxo-5-phenylthioindane-4-carboxylate

Guidance literature:: Multi-step reaction with 6 steps

1: diisobutylaluminium hydride (DIBAH) / CH₂Cl₂; 1,2-dimethoxy-ethane; hexane / 0.17 h / -78 °C

2: 1.) N,N,N',N'-tetramethylethylenediamine (TMEDA), BuLi / 1.) THF, hexane, -78 deg C, 30 min, 2.) THF, a) -78 deg C, 30 min, b) room temperature, 30 min

3: 95 percent / tetrabutylammonium fluoride (TBAF) / tetrahydrofuran / 0.33 h / 0 °C

4: triacetoxyperiodinane (TAPI) / CH₂Cl₂ / 0.5 h / Ambient temperature

5: Et₃N / benzene / 2 h / 5 °C

With n-butyllithium; triacetoxyperiodinane; N,N,N,N,-tetramethylethylenediamine; tetrabutyl ammonium fluoride; diisobutylaluminium hydride; triethylamine; In tetrahydrofuran; 1,2-dimethoxyethane; hexane; dichloromethane; benzene;

Reference yield:

: 2549-61-3
3-methylcaprolactone

: 137305-50-1,144880-31-9,144880-33-1
methyl (+/-)-(3aR*,4S*,5S*,7aS*)-7-(tert-butyldimethylsiloxy)-3a,4,5,7a-tetrahydro-7a-methyl-5-phenylthioindane-4-carboxylate

Guidance literature:: Multi-step reaction with 7 steps

1: diisobutylaluminium hydride (DIBAH) / CH₂Cl₂; 1,2-dimethoxy-ethane; hexane / 0.17 h / -78 °C

2: 1.) N,N,N',N'-tetramethylethylenediamine (TMEDA), BuLi / 1.) THF, hexane, -78 deg C, 30 min, 2.) THF, a) -78 deg C, 30 min, b) room temperature, 30 min

3: 95 percent / tetrabutylammonium fluoride (TBAF) / tetrahydrofuran / 0.33 h / 0 °C

4: triacetoxyperiodinane (TAPI) / CH₂Cl₂ / 0.5 h / Ambient temperature

5: Et₃N / benzene / 2 h / 5 °C

6: 1.) potassium hexamethyldisilazide (KHMDS) / 1.) 18-crown-6 / 1.) THF, toluene, -78 deg C, 30 min, 2.) THF, -78 deg C, 30 min

7: 47 percent / Et₃N / CH₂Cl₂ / 0.75 h / Ambient temperature

With n-butyllithium; triacetoxyperiodinane; N,N,N,N,-tetramethylethylenediamine; tetrabutyl ammonium fluoride; potassium hexamethylsilazane; diisobutylaluminium hydride; triethylamine; 18-crown-6 ether; In tetrahydrofuran; 1,2-dimethoxyethane; hexane; dichloromethane; benzene;