70550-73-1

Basic information

• Product Name: (1R,3aR,7aR)-1-((R)-6-hydroxy-6-Methylheptan-2-yl)-7a-Methylhexahydro-1H-inden-4(2H)-one
• Synonyms: (1R,3aR,7aR)-1-((R)-6-hydroxy-6-Methylheptan-2-yl)-7a-Methylhexahydro-1H-inden-4(2H)-one;(1R,7AR)-1-((R)-6-HYDROXY-6-METHYLHEPTAN-2-YL)-7A-METHYLHEXAHYDRO-1H-INDEN-4(2H)-ONE
• CAS NO: 70550-73-1
• Molecular Formula: C₁₈H₃₂O₂
• Molecular Weight: 280.44548
• Mol File: 70550-73-1.mol
• Article Data: 20

Chemical Properties

• Boiling Point: 384.5±15.0 °C(Predicted)
• Appearance: /
• Density: 0.987±0.06 g/cm3(Predicted)
• PKA: 15.32±0.29(Predicted)
• CAS DataBase Reference: (1R,3aR,7aR)-1-((R)-6-hydroxy-6-Methylheptan-2-yl)-7a-Methylhexahydro-1H-inden-4(2H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: (1R,3aR,7aR)-1-((R)-6-hydroxy-6-Methylheptan-2-yl)-7a-Methylhexahydro-1H-inden-4(2H)-one(70550-73-1)
• EPA Substance Registry System: (1R,3aR,7aR)-1-((R)-6-hydroxy-6-Methylheptan-2-yl)-7a-Methylhexahydro-1H-inden-4(2H)-one(70550-73-1)

Safety Data

• Hazardous Substances Data: 70550-73-1(Hazardous Substances Data)

Usage

General Description

"(1R,3aR,7aR)-1-((R)-6-hydroxy-6-Methylheptan-2-yl)-7a-Methylhexahydro-1H-inden-4(2H)-one" is a chemical compound with the molecular formula C15H26O2. It is a ketone derivative with a complex and unique structure, containing a heptan-2-yl and a methylhexahydro-1H-inden-4(2H)-one moiety. The presence of a hydroxyl group and a chiral center in the molecule indicates its potential for biological activity and pharmacological applications. As such, it may have value in medicinal chemistry for the development of new pharmaceuticals or as a building block for the synthesis of other compounds. Further research and testing are needed to fully understand the properties and potential uses of this chemical.

Upstream product

• 132713-32-7 (1R,3aR,4R,7aR)-6-Benzenesulfonyl-1-((R)-1-benzenesulfonylmethyl-pent-4-enyl)-7a-methyl-octahydro-inden-4-ol 
• 1527523-12-1 (1R,3aR,7aR)-7a-methyl-1-((R)-6-methylheptan-2-yl)octahydro-1H-inden-4-ol 
• 67-97-0 vitamin D₃ 
• 116535-65-0 (1R,3aR,4S,7aR)-octahydro-1-[(S)-1-iodopropan-2-yl]-7a-methyl-1H-inden-4-ol 
• 64190-52-9 (8S,20S)-de-A,B-20-(hydroxymethyl)pregnan-8-ol 
• 70550-65-1 Acetic acid (1R,3aR,4S,7aR)-1-((R)-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-yl ester 
• 83685-47-6 1-((1S,3aS,4S,5S,7aS)-1-tert-Butoxy-5-hydroxy-7a-methyl-octahydro-inden-4-yl)-ethanone 
• 81506-30-1 1-((1S,3aS,7aS)-1-tert-Butoxy-7a-methyl-octahydro-inden-4-yl)-ethanone 
• 81506-34-5 (3aR,4R,7aS)-4-Hydroxy-7a-methyl-octahydro-inden-1-one 
• 81506-37-8 (E)-(R)-4-((3aR,4R,7aS)-4-Acetoxy-7a-methyl-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl)-pent-2-enoic acid ethyl ester 
• 81506-38-9 (R)-4-((1R,3aR,4R,7aR)-4-Acetoxy-7a-methyl-octahydro-inden-1-yl)-pentanoic acid ethyl ester 
• 81506-26-5 (1S,3aS,4S,5S,7aS)-1-tert-Butoxy-5-hydroxy-7a-methyl-octahydro-indene-4-carboxylic acid 
• 81506-31-2 Acetic acid (1S,3aR,4R,7aS)-1-tert-butoxy-7a-methyl-octahydro-inden-4-yl ester 
• 81506-29-8 1-((1S,3aR,7aS)-1-tert-Butoxy-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl)-ethanone 

Downstream Products

• 160313-17-7 (1R,3aS,7aR)-4-[2-[(3R,5R)-4-Benzyloxy-3,5-bis-(tert-butyl-dimethyl-silanyloxy)-cyclohexylidene]-eth-(E)-ylidene]-1-((R)-1,5-dimethyl-5-triethylsilanyloxy-hexyl)-7a-methyl-octahydro-indene 
• 160399-86-0 (1R,3aS,7aR)-4-[2-{(3R,5R)-3,5-Bis-(tert-butyl-dimethyl-silanyloxy)-4-[3-(tert-butyl-dimethyl-silanyloxy)-propoxy]-cyclohexylidene}-eth-(E)-ylidene]-1-((R)-1,5-dimethyl-5-triethylsilanyloxy-hexyl)-7a-methyl-octahydro-indene 
• 160399-86-0 (1R,3aS,7aR)-4-[2-{(3R,5R)-3,5-Bis-(tert-butyl-dimethyl-silanyloxy)-4-[3-(tert-butyl-dimethyl-silanyloxy)-propoxy]-cyclohexylidene}-eth-(E)-ylidene]-1-((R)-1,5-dimethyl-5-triethylsilanyloxy-hexyl)-7a-methyl-octahydro-indene 
• 160399-84-8 1α-<(tert-butyldimethylsilyl)oxy>-2β-hydroxy-25-<(triethylsilyl)oxy>-19-norvitamin D3 tert-butyldimethylsilyl ether 
• 160399-84-8 1α-<(tert-butyldimethylsilyl)oxy>-2α-hydroxy-25-<(triethylsilyl)oxy>-19-norvitamin D3 tert-butyldimethylsilyl ether 
• 599165-21-6 3β-tert-butyldimethylsilyl-1α-tert-butyldimethylsilyloxy-25-trimethylsilyloxy-19-norvitamin D₃ 
• 104121-92-8 Eldecalcitol 

Relevant articles and documents

Synthesis of vitamin D3 analogues with A-ring modifications to directly measure vitamin D levels in biological samples

C-3-substituted 25-hydroxyvitamin D3 analogues were synthesized as tools to directly measure levels of vitamin D in biological samples. The strategy involves vinyloxycarbonylation of the 3β-hydroxy group and formation of a carbamate bond with a hydroxyl or amino group at the end of the alkyl chain. Biotinylated conjugates of synthesized derivatives were generated to be linked with vitamin D binding protein (DBP). The spacer group present in the alkyl chain is important in the binding of antibodies to the analogue-DBP complex. When compared to 25-hydroxyvitamin D3-DBP, the binding of some antibodies to the analogue-DBP complex of the 25-hydroxyvitamin D 3 derivative 10 that posses an 8-aminoctyl alkyl chain is significantly reduced, but this analogue displaced [26,27-3H]-25- hydroxyvitamin D3 from DBP. In contrast, the 8-hydroxyoctyl alkyl chain analogue 9 showed less displacement.

Total synthesis of 1α,25-dihydroxy-2β-(3-hydroxypropoxy)vitamin D3 (ED-71)

A convergent method for the synthesis of ED-71 has been developed. Starting from the reported epoxide 5 which could be easily prepared from D-mannitol, ED-71 was synthesized in 11 linear steps with 17% overall yield.

Compounds, conjugates, reagent kit and application of reagent kit

The invention discloses compounds, conjugates, a reagent kit for detecting vitamin D and an application of the reagent kit in detecting the vitamin D. The compounds have a structure represented by a formula (1) in the description, wherein L represents a linking arm, R1, R2 and R3 are independently selected from hydrogen, hydroxyl, C1-C3 alkoxy, C1-C3 alkyl, C2-C3 alkenyl and C2-C3 alkynyl. The compounds provided by the invention can accurately detect the vitamin D.