64190-52-9

Basic information

• Product Name: 1-(2-Hydroxy-1-methyl-ethyl)-7a-methyl-octahydro-inden-4-ol
• Synonyms: 1-(2-Hydroxy-1-methyl-ethyl)-7a-methyl-octahydro-inden-4-ol;(S,1R,3aR,4S,7aR)-Octahydro-4-hydroxy-,7a-dimethyl-1H-indene-1-ethanol;Inhoffen Lythgoe Diol;(1R,3aR,4S,7aR)-1-((S)-1-Hydroxypropan-2-yl)-7a-methyloctahydro-1H-inden-4-ol;(S)-C(OH)D(OH);(βS,1R,3aR,4S,7aR)-;1H-Indene-1-ethanol, octahydro-4-hydroxy-β,7a-diMethyl-, (βS,1R,3aR,4S,7aR)-;(7aR)-1-[(2S)-1-hydroxypropan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
• CAS NO: 64190-52-9
• Molecular Formula: C₁₃H₂₄O₂
• Molecular Weight: 212.33
• Product Categories: Chiral Reagents;Intermediates;Intermediates & Fine Chemicals;Pharmaceuticals
• Mol File: 64190-52-9.mol
• Article Data: 4

Chemical Properties

• Melting Point: 108-110 ºC
• Boiling Point: 317.365 °C at 760 mmHg
• Flash Point: 144.07 °C
• Appearance: white solid
• Density: 1.050
• Refractive Index: 1.517
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• PKA: 14.98±0.10(Predicted)
• CAS DataBase Reference: 1-(2-Hydroxy-1-methyl-ethyl)-7a-methyl-octahydro-inden-4-ol(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(2-Hydroxy-1-methyl-ethyl)-7a-methyl-octahydro-inden-4-ol(64190-52-9)
• EPA Substance Registry System: 1-(2-Hydroxy-1-methyl-ethyl)-7a-methyl-octahydro-inden-4-ol(64190-52-9)

Safety Data

• Hazardous Substances Data: 64190-52-9(Hazardous Substances Data)

Usage

Description

1-(2-Hydroxy-1-methyl-ethyl)-7a-methyl-octahydro-inden-4-ol is a complex organic compound with a unique molecular structure that features a hydroxyl group and a methyl group attached to a central indene ring. 1-(2-Hydroxy-1-methyl-ethyl)-7a-methyl-octahydro-inden-4-ol is characterized by its octahydroindenyl backbone, which contributes to its distinct chemical properties and potential applications.

Uses

Used in Pharmaceutical Industry:
1-(2-Hydroxy-1-methyl-ethyl)-7a-methyl-octahydro-inden-4-ol is used as a key intermediate for the preparation of Vitamin D metabolites and analogs. Its unique structure allows it to play a crucial role in the synthesis of these biologically active compounds, which are essential for maintaining proper health and functioning of the human body.
Used in Vitamin D Research and Development:
In the field of research and development, 1-(2-Hydroxy-1-methyl-ethyl)-7a-methyl-octahydro-inden-4-ol serves as a valuable intermediate for the creation of new Vitamin D analogs. These analogs can be designed to have improved properties, such as enhanced bioavailability, increased potency, or reduced side effects, making them more effective in treating various health conditions related to Vitamin D deficiency or imbalance.
Overall, 1-(2-Hydroxy-1-methyl-ethyl)-7a-methyl-octahydro-inden-4-ol is a versatile and important compound in the pharmaceutical industry, particularly in the development and production of Vitamin D-related products. Its unique structure and properties make it a valuable asset in the ongoing quest to improve human health and well-being.

InChI:InChI=1/C13H24O2/c1-9(8-14)10-5-6-11-12(15)4-3-7-13(10,11)2/h9-12,14-15H,3-8H2,1-2H3/t9-,10?,11?,12+,13-/m1/s1

Upstream product

• 104846-62-0 3(S)-tert-butyldimethylsilyloxy-9,10-secoergosta-5,7(E),10⁽¹⁹⁾,22(E)-tetraene 
• 50-14-6 Calciferol 
• 50-14-6 vitamin D₂ 

Downstream Products

• 64190-53-0 (S)-2-((1R,3aR,4S,7aR)-4-(benzoyloxy)-7a-methyloctahydro-1H-inden-1-yl)propyl benzoate 
• 93489-68-0 Benzoic acid (R)-3-((1R,3aR,4S,7aR)-4-hydroxy-7a-methyl-octahydro-inden-1-yl)-butyl ester 
• 142777-78-4 (S)-2-((1R,3aS,7aR,E)-4-(2-((3R,5R)-3,5-bis(tertbutyldimethylsilyloxy)cyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)propanal 
• 142777-81-9 Δ²²,22E,19-nor-24,24-dihomo-26,27-dihomo-1α,25-dihydroxyvitamin D3 
• 142777-77-3 (E)-(1R,3R,20S)-1,3-Bis-(tert-butyl-dimethyl-silanyloxy)-20-methyl-19-nor-9,10-seco-pregna-5,7-dien-21-ol 
• 141404-12-8 Acetic acid (S)-2-{(1R,3aS,7aR)-4-[2-[(3R,5R)-3,5-bis-(tert-butyl-dimethyl-silanyloxy)-cyclohexylidene]-eth-(E)-ylidene]-7a-methyl-octahydro-inden-1-yl}-propyl ester 
• 142777-80-8 (1R,3aS,7aR)-4-[2-[(3R,5R)-3,5-Bis-(tert-butyl-dimethyl-silanyloxy)-cyclohexylidene]-eth-(E)-ylidene]-1-((E)-(R)-7-ethyl-1-methyl-7-triethylsilanyloxy-non-2-enyl)-7a-methyl-octahydro-indene 
• 142777-79-5 (S)-4-Benzenesulfonyl-2-{(1R,3aS,7aR)-4-[2-[(3R,5R)-3,5-bis-(tert-butyl-dimethyl-silanyloxy)-cyclohexylidene]-eth-(E)-ylidene]-7a-methyl-octahydro-inden-1-yl}-8-ethyl-8-triethylsilanyloxy-decan-3-ol 
• 141411-00-9 (20S)-Des-A,B-22-(acetoxy)-23,24-dinorcholane-8-one 
• 898269-49-3 C₃₁H₆₄O₂Si₂ 
• 142700-23-0 (22R)-25-<(tert-butyldimethylsilyl)oxy>-22-hydroxy-de-A,B-cholest-23-yn-8β-yl benzoate 
• 142700-23-0 (22S)-25-<(tert-butyldimethylsilyl)oxy>-22-hydroxy-de-A,B-cholest-23-yn-8β-yl benzoate 
• 96845-34-0 (R)-3-((1R,3aR,4S,7aR)-4-Benzyloxy-7a-methyl-octahydro-inden-1-yl)-butyronitrile 
• 96845-35-1 (R)-3-((1R,3aR,4S,7aR)-4-Benzyloxy-7a-methyl-octahydro-inden-1-yl)-butyraldehyde 

Relevant articles and documents

NOVEL METHOD OF TREATMENT OF MALE SUB-FERTILITY

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SYNTHESIS OF 1α-FLUORO-25-HYDROXY-16-23E-DIENE-26,27-BISHOMO-20-EPI-CHOLECALCIFEROL

The invention provides a method of producing 20-methyl vitamin D3 compounds of formula (I). The method includes hydroxylation, carbonyl reduction, fluoride substitution, epoxide deoxygenation, and Wittig-type couplings.