(1R,3aR,7aR)-1-((1R)-1,5-Dimethylhexyl)octahydro-7a-methyl-4H-inden-4-one

Base Information Edit

Chemical Name:(1R,3aR,7aR)-1-((1R)-1,5-Dimethylhexyl)octahydro-7a-methyl-4H-inden-4-one
CAS No.:66251-18-1
Molecular Formula:C18H32O
Molecular Weight:264.451
Hs Code.:
UNII:DR7NU6538E
Nikkaji Number:J501.468I
Wikidata:Q27276559
ChEMBL ID:CHEMBL2063142
Mol file:66251-18-1.mol

Synonyms:Grundmann's ketone;66251-18-1;Grundmann's ketone [MI];Grundmann's ketone, (+)-;(1R,3aR,7aR)-1-((1R)-1,5-Dimethylhexyl)octahydro-7a-methyl-4H-inden-4-one;UNII-DR7NU6538E;DR7NU6538E;1-((1R)-1,5-Dimethylhexyl)octahydro-7a-methyl-4H-inden-4-one, (1R,3aR,7aR)-;(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;4H-Inden-4-one, 1-((1R)-1,5-dimethylhexyl)octahydro-7a-methyl-, (1R,3aR,7aR)-;Grundmann'sketone;(1R,3aR,7aR)-1-[(1R)-1,5-Dimethylhexyl]octahydro-7a-methyl-4H-inden-4-one;(1R,3aR,7aR)-7a-methyl-1-((R)-6-methylheptan-2-yl)hexahydro-1H-inden-4(2H)-one;Grundmann/'s ketone;CHEMBL2063142;SCHEMBL13622370;ATMUYWZMPLKPEJ-XLMAVXFVSA-N;Q27276559;(1R,3aR,7aR)-7a-methyl-1-((R)-6-methylheptan-2-yl)-octahydroinden-4-one

Suppliers and Price of (1R,3aR,7aR)-1-((1R)-1,5-Dimethylhexyl)octahydro-7a-methyl-4H-inden-4-one

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
Grundmann''sKetone
50g
$ 1090.00

American Custom Chemicals Corporation
GRUNDMANN'S KETONE 95.00%
5MG
$ 503.14

Total 9 raw suppliers

Chemical Property of (1R,3aR,7aR)-1-((1R)-1,5-Dimethylhexyl)octahydro-7a-methyl-4H-inden-4-one Edit

Chemical Property:

Boiling Point:bp0.001 115-120°
PSA：17.07000
Density:0.921±0.06 g/cm3(Predicted)
LogP:5.23430
Solubility.:DCM, Ethyl Acetate
XLogP3:5.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:264.245315640
Heavy Atom Count:19
Complexity:320

Purity/Quality:

99.3% ^*data from raw suppliers

Grundmann''sKetone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CCCC(C)C1CCC2C1(CCCC2=O)C
Isomeric SMILES:C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CCCC2=O)C
Uses Intermediate in the synthesis of vitamin D active compounds. Grundmann''s Ketone is an intermediate in synthesizing (7Z)-Calcipotriene (C144225), which is an isomeric impurity of Calcipotriene (1442000), a vitamin D3 analogue with low calcemic activity.

Technology Process of (1R,3aR,7aR)-1-((1R)-1,5-Dimethylhexyl)octahydro-7a-methyl-4H-inden-4-one

There total 56 articles about (1R,3aR,7aR)-1-((1R)-1,5-Dimethylhexyl)octahydro-7a-methyl-4H-inden-4-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: 100.0%

: 263712-15-8
(8β)-De-A,B-22-cholestyne-8-one

: 66251-18-1
Grundmann's ketone

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethyl acetate; at 20 ℃; for 0.5h;
DOI:10.1248/cpb.48.215

Reference yield: 99.0%

: 1527523-12-1
(1R,3aR,7aR)-7a-methyl-1-((R)-6-methylheptan-2-yl)octahydro-1H-inden-4-ol

: 66251-18-1
Grundmann's ketone

Guidance literature:: With sodium hydrogencarbonate; Dess-Martin periodane; In dichloromethane; at 20 ℃; for 3h;
DOI:10.1016/j.tet.2020.131081