Methyl 5-[(1R,3aR,4S,7aR)-4-hydroxy-7a-methyloctahydro-1H-inden-1-yl]hexanoate

Base Information

Chemical Name:Methyl 5-[(1R,3aR,4S,7aR)-4-hydroxy-7a-methyloctahydro-1H-inden-1-yl]hexanoate
CAS No.:135359-40-9
Molecular Formula:C17H30O3
Molecular Weight:282.423
Hs Code.:
DSSTox Substance ID:DTXSID20564199
Nikkaji Number:J1.327.493B
Wikidata:Q82448811
Mol file:135359-40-9.mol

Synonyms:135359-40-9;methyl (5R)-5-[(1R,3aR,4S,7aR)-4-hydroxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]hexanoate;Methyl 5-[(1R,3aR,4S,7aR)-4-hydroxy-7a-methyloctahydro-1H-inden-1-yl]hexanoate;(deltaR,1R,3aR,4S,7aR)-Octahydro-4-hydroxy-delta,7a-dimethyl-1H-indene-1-pentanoic Acid Methyl Ester;(?R,1R,3aR,4S,7aR)-Octahydro-4-hydroxy-?,7a-dimethyl-1H-indene-1-pentanoic Acid Methyl Ester;SCHEMBL26322310;DTXSID20564199;J-006687;(R)-Methyl 5-((1R,3aR,4S,7aR)-4-hydroxy-7a-methyloctahydro-1H-inden-1-yl)hexanoate

Suppliers and Price of Methyl 5-[(1R,3aR,4S,7aR)-4-hydroxy-7a-methyloctahydro-1H-inden-1-yl]hexanoate

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

TRC
(δR,1R,3aR,4S,7aR)-Octahydro-4-hydroxy-δ,7a-dimethyl-1H-indene-1-pentanoicAcidMethylEster
25mg
$ 165.00

Total 2 raw suppliers

Chemical Property of Methyl 5-[(1R,3aR,4S,7aR)-4-hydroxy-7a-methyloctahydro-1H-inden-1-yl]hexanoate

Chemical Property:

PSA：46.53000
LogP:3.54310
Solubility.:Dichloromethane, Ethyl Acetate, Methanol
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:282.21949481
Heavy Atom Count:20
Complexity:341

Purity/Quality:

97% ^*data from raw suppliers

(δR,1R,3aR,4S,7aR)-Octahydro-4-hydroxy-δ,7a-dimethyl-1H-indene-1-pentanoicAcidMethylEster ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(CCCC(=O)OC)C1CCC2C1(CCCC2O)C
Isomeric SMILES:C[C@H](CCCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CCC[C@@H]2O)C
Uses An intermediate in the preparation of Calcifediol.

Technology Process of Methyl 5-[(1R,3aR,4S,7aR)-4-hydroxy-7a-methyloctahydro-1H-inden-1-yl]hexanoate

There total 2 articles about Methyl 5-[(1R,3aR,4S,7aR)-4-hydroxy-7a-methyloctahydro-1H-inden-1-yl]hexanoate 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: 93.0%

: 116535-65-0
(1R,3aR,4S,7aR)-octahydro-1-[(S)-1-iodopropan-2-yl]-7a-methyl-1H-inden-4-ol

: 292638-85-8,9003-21-8,96-33-3
acrylic acid methyl ester

: 135359-40-9
de-A,B-24-(methoxycarbonyl)-cholestan-8β-ol

Guidance literature:: acrylic acid methyl ester; With pyridine; nickel(II) chloride hexahydrate; zinc; at 60 ℃; for 1h; Inert atmosphere;

(1R,3aR,4S,7aR)-octahydro-1-[(S)-1-iodopropan-2-yl]-7a-methyl-1H-inden-4-ol; With pyridine; at 0 ℃; for 2h; Inert atmosphere;

Reference yield:

: 64190-52-9
(8S,20S)-de-A,B-20-(hydroxymethyl)pregnan-8-ol

: 135359-40-9
de-A,B-24-(methoxycarbonyl)-cholestan-8β-ol

Guidance literature:: Multi-step reaction with 2 steps

1.1: 1H-imidazole; iodine; triphenylphosphine / tetrahydrofuran / 0.04 h / -20 - 20 °C / Inert atmosphere

2.1: pyridine; zinc; nickel(II) chloride hexahydrate / 1 h / 60 °C / Inert atmosphere

2.2: 2 h / 0 °C / Inert atmosphere

With pyridine; 1H-imidazole; nickel(II) chloride hexahydrate; iodine; triphenylphosphine; zinc; In tetrahydrofuran;