(1S)-25-Hydroxy-1-(hydroxymethyl)vitamin D3/(1S)-25-hydroxy-1-(hydroxymethyl)cholecalciferol

Base Information

Chemical Name:(1S)-25-Hydroxy-1-(hydroxymethyl)vitamin D3/(1S)-25-hydroxy-1-(hydroxymethyl)cholecalciferol
CAS No.:142508-67-6
Molecular Formula:C28H46 O3
Molecular Weight:430.671
Hs Code.:
Metabolomics Workbench ID:35887
Mol file:142508-67-6.mol

Synonyms:1 alpha-(hydroxymethyl)-25-hydroxyvitamin D3;1-HMHV D3

Suppliers and Price of (1S)-25-Hydroxy-1-(hydroxymethyl)vitamin D3/(1S)-25-hydroxy-1-(hydroxymethyl)cholecalciferol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemicals and raw materials
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Total 1 raw suppliers

Chemical Property of (1S)-25-Hydroxy-1-(hydroxymethyl)vitamin D3/(1S)-25-hydroxy-1-(hydroxymethyl)cholecalciferol

Chemical Property:

Vapor Pressure:1.29E-15mmHg at 25°C
Boiling Point:575°C at 760 mmHg
Flash Point:240.2°C
PSA：60.69000
Density:1.05g/cm³
LogP:5.95230
XLogP3:5.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:430.34469533
Heavy Atom Count:31
Complexity:703

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)CO)O)C
Isomeric SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)CO)O)C

Technology Process of (1S)-25-Hydroxy-1-(hydroxymethyl)vitamin D3/(1S)-25-hydroxy-1-(hydroxymethyl)cholecalciferol

There total 13 articles about (1S)-25-Hydroxy-1-(hydroxymethyl)vitamin D3/(1S)-25-hydroxy-1-(hydroxymethyl)cholecalciferol 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: 83.0%

: (1R,3aS,7aR)-4-[2-[(3S,5S)-5-(tert-Butyl-dimethyl-silanyloxy)-3-(tert-butyl-dimethyl-silanyloxymethyl)-2-methylene-cyclohex-(Z)-ylidene]-eth-(E)-ylidene]-1-((R)-1,5-dimethyl-5-trimethylsilanyloxy-hexyl)-7a-methyl-octahydro-indene

: 142508-67-6
1α-(hydroxymethyl)-25-(hydroxyvitamin) D₃

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 25 ℃; for 14h;
DOI:10.1021/jm00095a026

Reference yield:

: C₄₀H₇₄O₃Si₂

: 142508-67-6
1α-(hydroxymethyl)-25-(hydroxyvitamin) D₃

Guidance literature:: With pyridine hydrogenfluoride; In tetrahydrofuran; at 20 ℃; for 0.5h;
DOI:10.1016/j.bmc.2007.12.039

Reference yield:

: 19978-32-6
3-bromo-2H-pyran-2-one

: 142508-67-6
1α-(hydroxymethyl)-25-(hydroxyvitamin) D₃

Guidance literature:: Multi-step reaction with 12 steps

2: 1.) tributyltin hydride, AIBN, DBU / 1.) benzene, reflux, 2 h, 2.) THF, -35 deg C - 25 deg C, 11 h

3: 46 percent / 1,3-dicyclohexylcarbodiimide, 4-(dimethylamino)-pyridine / diethyl ether / 12 h / Ambient temperature

4: 91 percent / sodium methoxide / methanol; tetrahydrofuran / 8 h

5: 2,6-lutidine / CH₂Cl₂ / 0.5 h

6: DIBAL-H / toluene / 2 h / -78 - 25 °C

7: 2,4,6-trimethylbenzoic acid / CH₂Cl₂ / 12.5 h / 135 - 145 °C

8: DIBAL-H / toluene; hexane / 2 h / 0 °C

9: NCS, Me₂S / 1.08 h / -20 - 25 °C

10: 2.) 30percent aq. H₂O₂ / 1.) THF, 2.) CH₂Cl₂, 10 min

11: 69 percent / PhLi / tetrahydrofuran; diethyl ether / -78 - -65 °C

12: 83 percent / tetrabutylammonium fluoride / tetrahydrofuran / 14 h / 25 °C

With 2,6-dimethylpyridine; dmap; N-chloro-succinimide; dimethylsulfide; 2,2'-azobis(isobutyronitrile); mesitylenecarboxylic acid; tetrabutyl ammonium fluoride; dihydrogen peroxide; tri-n-butyl-tin hydride; sodium methylate; diisobutylaluminium hydride; phenyllithium; 1,8-diazabicyclo[5.4.0]undec-7-ene; dicyclohexyl-carbodiimide; In tetrahydrofuran; methanol; diethyl ether; hexane; dichloromethane; toluene;
DOI:10.1021/jm00095a026