(1a,3R,4a,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-hydroxy-4-(1H-imidazol-1-ylthioxomethoxy)-cyclohexanecarboxylic Acid Methyl Ester

Base Information

Chemical Name:(1a,3R,4a,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-hydroxy-4-(1H-imidazol-1-ylthioxomethoxy)-cyclohexanecarboxylic Acid Methyl Ester
CAS No.:139356-32-4
Molecular Formula:C24H44N2O6SSi2
Molecular Weight:544.86
Hs Code.:
DSSTox Substance ID:DTXSID60464265
Mol file:139356-32-4.mol

(1a,3R,4a,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-hydroxy-4-(1H-imidazol-1-ylthioxomethoxy)-cyclohexanecarboxylic Acid Methyl Ester

Synonyms:139356-32-4;(1a,3R,4a,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-hydroxy-4-(1H-imidazol-1-ylthioxomethoxy)-cyclohexanecarboxylic Acid Methyl Ester;methyl (3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-hydroxy-4-(imidazole-1-carbothioyloxy)cyclohexane-1-carboxylate;SCHEMBL13531898;DTXSID60464265;(1|A,3R,4|A,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-hydroxy-4-(1H-imidazol-1-ylthioxomethoxy)-cyclohexanecarboxylic Acid Methyl Ester

Suppliers and Price of (1a,3R,4a,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-hydroxy-4-(1H-imidazol-1-ylthioxomethoxy)-cyclohexanecarboxylic Acid Methyl Ester

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
(1α,3R,4α,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-hydroxy-4-(1H-imidazol-1-ylthioxomethoxy)-cyclohexanecarboxylicAcidMethylEster
100 mg
$ 550.00

Medical Isotopes, Inc.
(1α,3R,4α,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-hydroxy-4-(1H-imidazol-1-ylthioxomethoxy)-cyclohexanecarboxylicAcidMethylEster
25 mg
$ 640.00

Biosynth Carbosynth
(1a,3R,4a,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-hydroxy-4-(1H-imidazol-1-ylthioxomethoxy)-cyclohexanecarboxylic acid methyl ester
50 mg
$ 462.00

Biosynth Carbosynth
(1a,3R,4a,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-hydroxy-4-(1H-imidazol-1-ylthioxomethoxy)-cyclohexanecarboxylic acid methyl ester
25 mg
$ 254.50

Biosynth Carbosynth
(1a,3R,4a,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-hydroxy-4-(1H-imidazol-1-ylthioxomethoxy)-cyclohexanecarboxylic acid methyl ester
10 mg
$ 139.80

Biosynth Carbosynth
(1a,3R,4a,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-hydroxy-4-(1H-imidazol-1-ylthioxomethoxy)-cyclohexanecarboxylic acid methyl ester
250 mg
$ 1530.00

Biosynth Carbosynth
(1a,3R,4a,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-hydroxy-4-(1H-imidazol-1-ylthioxomethoxy)-cyclohexanecarboxylic acid methyl ester
100 mg
$ 840.00

AK Scientific
Methyl(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-hydroxy-4-(imidazole-1-carbothioyloxy)cyclohexane-1-carboxylate
250mg
$ 2115.00

Total 1 raw suppliers

Chemical Property of (1a,3R,4a,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-hydroxy-4-(1H-imidazol-1-ylthioxomethoxy)-cyclohexanecarboxylic Acid Methyl Ester

Chemical Property:

PSA：124.13000
LogP:4.88000
Solubility.:CDCl3, CD3OD
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:10
Exact Mass:544.24586137
Heavy Atom Count:35
Complexity:743

Purity/Quality:: (1α,3R,4α,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-hydroxy-4-(1H-imidazol-1-ylthioxomethoxy)-cyclohexanecarboxylicAcidMethylEster ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)[Si](C)(C)OC1CC(CC(C1OC(=S)N2C=CN=C2)O[Si](C)(C)C(C)(C)C)(C(=O)OC)O
Isomeric SMILES:CC(C)(C)[Si](C)(C)O[C@@H]1CC(C[C@H](C1OC(=S)N2C=CN=C2)O[Si](C)(C)C(C)(C)C)(C(=O)OC)O
Uses (1α,3R,4α,5R)-3,5-Bis[[(1,1-diMethylethyl)diMethylsilyl]oxy]-1-hydroxy-4-(1H-iMidazol-1-ylthioxoMethoxy)-cyclohexanecarboxylic Acid Methyl Ester can be used in the preparation of Vitamin D compounds.

Technology Process of (1a,3R,4a,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-hydroxy-4-(1H-imidazol-1-ylthioxomethoxy)-cyclohexanecarboxylic Acid Methyl Ester

There total 4 articles about (1a,3R,4a,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-hydroxy-4-(1H-imidazol-1-ylthioxomethoxy)-cyclohexanecarboxylic Acid Methyl Ester 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: 91.0%

: 135711-62-5
methyl quinicate

: 6160-65-2
1,1'-Thiocarbonyldiimidazole

: 139356-32-4
methyl (1s_n,3R,4s_n,5R)-3,5-di[(tert-butyldimethylsilyl)oxy]-1-hydroxy-4-[(imidazol-1-ylthiocarbonyl)oxy]-cyclohexanecarboxylate

Guidance literature:: In dichloromethane; for 60h; Ambient temperature;
DOI:10.1016/0040-4039(91)80559-O

Reference yield:

: 191916-39-9
methyl (-)-quinate

: 139356-32-4
methyl (1s_n,3R,4s_n,5R)-3,5-di[(tert-butyldimethylsilyl)oxy]-1-hydroxy-4-[(imidazol-1-ylthiocarbonyl)oxy]-cyclohexanecarboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: Et₃N

2: 88 percent / tetrahydrofuran

With triethylamine; In tetrahydrofuran;
DOI:10.1055/s-2003-39908

Reference yield:

: 77-95-2
D-(-)-quinic acid

: 139356-32-4
methyl (1s_n,3R,4s_n,5R)-3,5-di[(tert-butyldimethylsilyl)oxy]-1-hydroxy-4-[(imidazol-1-ylthiocarbonyl)oxy]-cyclohexanecarboxylate

Guidance literature:: Multi-step reaction with 3 steps

1: p-TsOH

2: Et₃N

3: 88 percent / tetrahydrofuran

With toluene-4-sulfonic acid; triethylamine; In tetrahydrofuran;
DOI:10.1055/s-2003-39908