(3AS,7aS)-3a-hydroxy-7a-methylhexahydro-1H-indene-1,5(6H)-dione

Base Information Edit

Chemical Name:(3AS,7aS)-3a-hydroxy-7a-methylhexahydro-1H-indene-1,5(6H)-dione
CAS No.:33879-04-8
Molecular Formula:C10H14 O3
Molecular Weight:182.219
Hs Code.:
DSSTox Substance ID:DTXSID80955463
Nikkaji Number:J363.885E
Wikidata:Q82935082
Mol file:33879-04-8.mol

Synonyms:33879-04-8;(3AS,7aS)-3a-hydroxy-7a-methylhexahydro-1H-indene-1,5(6H)-dione;(3aS,7aS)-(+)-Hexahydro-3a-hydroxy-7a-methyl-1,5-indandione;(3aS,7aS)-3a-hydroxy-7a-methyl-3,4,6,7-tetrahydro-2H-indene-1,5-dione;(3alphaS,7alphaS)-(+)-Hexahydro-3alpha-hydroxy-7alpha-methyl-1,5-indandione;SCHEMBL7308091;DTXSID80955463;PUHCDQVSBDIJTM-ZJUUUORDSA-N;(3|AS,7|AS)-(+)-Hexahydro-3|A-hydroxy-7|A-methyl-1,5-indandione;STL570263;AKOS017343732;SB47652;3a-Hydroxy-7a-methylhexahydro-1H-indene-1,5(4H)-dione;(3As,7as)-hexahydro-3a-hydroxy-7a-methyl-1,5-indandione;(+)-Hexahydro-3A-hydroxy-7A-methyl-1H-inden-1,5(6H)-dione;(3?S,7?S)-(+)-Hexahydro-3?-hydroxy-7?-methyl-1,5-indandione;(3aS,7aS)-3a-hydroxy-7a-methylhexahydro-1H-indene-1,5(4H)-dione;(3aS,7aS)-(+)-Hexahydro-3a-hydroxy-7a-methyl-1,5-indandione, 97%;(3 alpha S,7 alpha S)-(+)-Hexahydro-3 alpha -hydroxy-7 alpha -methyl-1,5-indandione

Suppliers and Price of (3AS,7aS)-3a-hydroxy-7a-methylhexahydro-1H-indene-1,5(6H)-dione

Supply Marketing:Edit

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

TRC
(3αS,7αS)-(+)-Hexahydro-3α-hydroxy-7α-methyl-1,5-indandione
10mg
$ 970.00

Medical Isotopes, Inc.
(3aS,7aS)-(+)-Hexahydro-3a-hydroxy-7a-methyl-1,5-indandione
5 mg
$ 1400.00

American Custom Chemicals Corporation
(+)-HEXAHYDRO-3ALPHA-HYDROXY-7ALPHA-METHYL-1H- INDEN-1,5(6H)-DIONE 95.00%
10MG
$ 1593.90

American Custom Chemicals Corporation
(+)-HEXAHYDRO-3ALPHA-HYDROXY-7ALPHA-METHYL-1H- INDEN-1,5(6H)-DIONE 95.00%
1MG
$ 704.55

Total 9 raw suppliers

Chemical Property of (3AS,7aS)-3a-hydroxy-7a-methylhexahydro-1H-indene-1,5(6H)-dione Edit

Chemical Property:

Vapor Pressure:1.37E-05mmHg at 25°C
Melting Point:116-118 °C(lit.)
Refractive Index:1.5230 (estimate)
Boiling Point:328.9°Cat760mmHg
Flash Point:166.9°C
PSA：54.37000
Density:1.299g/cm³
LogP:0.83970
XLogP3:-0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:182.094294304
Heavy Atom Count:13
Complexity:284

Purity/Quality:

98%min ^*data from raw suppliers

(3αS,7αS)-(+)-Hexahydro-3α-hydroxy-7α-methyl-1,5-indandione ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC12CCC(=O)CC1(CCC2=O)O
Isomeric SMILES:C[C@]12CCC(=O)C[C@]1(CCC2=O)O
Uses (3aS,7aS)-(+)-Hexahydro-3a-hydroxy-7a-methyl-1,5-indandione is a useful synthetic intermediate.

Technology Process of (3AS,7aS)-3a-hydroxy-7a-methylhexahydro-1H-indene-1,5(6H)-dione

There total 13 articles about (3AS,7aS)-3a-hydroxy-7a-methylhexahydro-1H-indene-1,5(6H)-dione 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: 100.0%

: 25112-78-1
2-methyl-2-(3-oxobutyl)-1,3-cyclopentanedione

: 33879-04-8,51065-67-9
(+)-(3aS,7aS)-2,3,3a,4,7,7a-hexahydro-3a-hydroxy-7a-methyl-1H-indene-1,5(6H)-dione

Guidance literature:: With L-proline; In N,N-dimethyl-formamide; at 20 ℃; for 24h; optical yield given as %ee; stereoselective reaction; Inert atmosphere;