1-(2-Hydroxy-1-methyl-ethyl)-7a-methyl-octahydro-inden-4-ol

Base Information

• Chemical Name: 1-(2-Hydroxy-1-methyl-ethyl)-7a-methyl-octahydro-inden-4-ol
• CAS No.: 64190-52-9
• Molecular Formula: C13H24O2
• Molecular Weight: 212.332
• Hs Code.: 2906199090
• Mol file: 64190-52-9.mol

Synonyms:1H-Indene-1-ethanol,octahydro-4-hydroxy-b,7a-dimethyl-, [1R-[1a(S*),3ab,4a,7aa]]-;Inhoffen Lythgoe diol;

Chemical Property of 1-(2-Hydroxy-1-methyl-ethyl)-7a-methyl-octahydro-inden-4-ol

Chemical Property:

• Appearance/Colour: white solid
• Melting Point: 108-110 °C
• Refractive Index: 1.517
• Boiling Point: 317.365 °C at 760 mmHg
• PKA: 14.98±0.10(Predicted)
• Flash Point: 144.07 °C
• PSA: 40.46000
• Density: 1.051 g/cm³
• LogP: 2.19210
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)

Purity/Quality:

98%,99%, ^*data from raw suppliers

InhoffenLythgoeDiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: A key intermediate for the preparation of Vitamin D metabolites and analogs A key intermediate for the preparation of Vitamin D metabolites and analogs.

Technology Process of 1-(2-Hydroxy-1-methyl-ethyl)-7a-methyl-octahydro-inden-4-ol

There total 5 articles about 1-(2-Hydroxy-1-methyl-ethyl)-7a-methyl-octahydro-inden-4-ol 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: 74.5%

C28H44O → (8S,20S)-de-A,B-20-(hydroxymethyl)pregnan-8-ol (64190-52-9) + <(1Z),(5S)>-2-<5-hydroxy-2-methylcyclohexylidene>-ethanol (67337-15-9,54661-19-7)

Guidance literature:

C₂₈H₄₄O; With pyridine; solvent red 19; In ethanol; at -70 - -65 ℃;

With ozone; In ethanol; for 3h;

With sodium tetrahydroborate; In ethanol; at 20 ℃; for 1h;

Reference yield: 34.8%

Calciferol (50-14-6) → 4-methylene-cyclohexane-1,3-diol + (8S,20S)-de-A,B-20-(hydroxymethyl)pregnan-8-ol (64190-52-9) + <(1Z),(5S)>-2-<5-hydroxy-2-methylcyclohexylidene>-ethanol (67337-15-9,54661-19-7)

Guidance literature:

Calciferol; With pyridine; ozone; solvent red 19; In ethanol; dichloromethane; at -70 - 65 ℃; for 3h;

With sodium tetrahydroborate; In ethanol; dichloromethane; acetone; at 20 - 35 ℃;

Reference yield: 34.8%

Calciferol (50-14-6) → 4-methylene-cyclohexane-1,3-diol + (8S,20S)-de-A,B-20-(hydroxymethyl)pregnan-8-ol (64190-52-9) + <(1Z),(5S)>-2-<5-hydroxy-2-methylcyclohexylidene>-ethanol (67337-15-9,54661-19-7)

Guidance literature:

Calciferol; With pyridine; ozone; In ethanol; dichloromethane; at -70 - -65 ℃; for 72h;

With sodium tetrahydroborate; In ethanol; dichloromethane; at -70 - 20 ℃; for 1h;

With ethanol; acetone; In dichloromethane; at 35 ℃; Product distribution / selectivity;

upstream raw materials:

Calciferol

vitamin D₂

3(S)-tert-butyldimethylsilyloxy-9,10-secoergosta-5,7(E),10⁽¹⁹⁾,22(E)-tetraene

Downstream raw materials:

(S)-2-((1R,3aR,4S,7aR)-4-(tert-butyldimethylsilyloxy)-7a-methyloctahydro-1H-inden-1-yl)propan-1-ol

(1R,3aR,4S,7aR)-7a-methyl-1-[(1S)-1-methyl-1-(phenylsulfonyl)ethyl]-4-(triethylsilyloxy)octahydro-1H-indene

1α,2β,3β-tris(triethylsilyloxy)-24S,25-di(tert-butyldimethylsilyloxy)-9,10-secocholesta-5,7,10(19)-triene

1α,2β,3β-tris(triethylsilyloxy)-24R,25-di(tert-butyldimethylsilyloxy)-9,10-secocholesta-5,7,10(19)-triene

Refernces

• 1、 -. "NOVEL METHOD". Page/Page column 64-65. . Retrieved 2008/06/13.
• 2、 -. "SYNTHESIS OF 1α-FLUORO-25-HYDROXY-16-23E-DIENE-26,27-BISHOMO-20-EPI-CHOLECALCIFEROL". Page/Page column 46-47. . Retrieved 2008/06/13.