Calcifediol-d6

Base Information

• Chemical Name: Calcifediol-d6
• CAS No.: 78782-98-6
• Molecular Formula: C27H38D6O2
• Molecular Weight: 406.598
• Mol file: 78782-98-6.mol

Synonyms:<26,27-2H6>-25-hydroxyvitamin D3;Didrogyl-d6;Calcifediol-D6;25-Hydroxycholecalciferol-d6;Calcidiol-d6;25-Hydroxyvitamin D3-d6;Ro 8-8892-d6;25-Hydroxyvitamin D-d6;Hidroferol-d6;

Chemical Property of Calcifediol-d6

Chemical Property:

• Melting Point: 64-69°C
• Flash Point: 14℃
• PSA: 40.46000
• LogP: 6.73390
• Storage Temp.: Amber Vial, -20°C Freezer, Under Inert Atmosphere

Purity/Quality:

98% ^*data from raw suppliers

Calcifediol-d6 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 11
• Safety Statements: 7-16

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Calcifediol-d6 can be intended for use as an internal standard for the quantification of Vitamin D3 by GC- or LC-mass spectrometry. D6-25-Hydroxyvitamin D3 has been used as an internal standard for the quantitation of 25-hydroxyvitamin D2/D3 in human serum by liquid chromatography tandem mass spectrometry.

Technology Process of Calcifediol-d6

There total 19 articles about Calcifediol-d6 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:

C26H39O3Pol + methyl-d3-magnesium iodide (41251-37-0) → <26,27-2H6>-25-hydroxyvitamin D3 (78782-98-6)

Guidance literature:

C₂₆H₃₉O₃Pol; methyl-d3-magnesium iodide; In tetrahydrofuran; diethyl ether; at -78 - 20 ℃; for 12h; Darkness; solid phase reaction;

With water; In tetrahydrofuran; diethyl ether; at 0 ℃;

DOI:10.1021/jo900524u

Reference yield:

methyl-d3-magnesium iodide (41251-37-0) + (R)-methyl 5-((1R,3aS,7aR,E)-4-((Z)-2-((S)-5-((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)hexanoate (135359-42-1) → <26,27-2H6>-25-hydroxyvitamin D3 (78782-98-6)

Guidance literature:

With tetrabutyl ammonium fluoride; Yield given. Multistep reaction; 1. diethyl ether, -78 deg C, 2. THF;

DOI:10.1016/0040-4039(91)85094-L

Reference yield:

C19H27(2)H6BrO + <<1-(3-butenyl)>-3-butynyloxy>(1,1-dimethylethyl)dimethylsilane (155498-04-7) → C27H38(2)H6O2 + <26,27-2H6>-25-hydroxyvitamin D3 (78782-98-6)

Guidance literature:

C₁₉H₂₇⁽²⁾H₆BrO; <<1-(3-butenyl)>-3-butynyloxy>(1,1-dimethylethyl)dimethylsilane; With triethylamine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In toluene; for 2h; Heating;

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃; for 12h; Further stages. Title compound not separated from byproducts.;

DOI:10.1021/ac048249c

upstream raw materials:

methyl-d3-magnesium iodide

(R)-methyl 5-((1R,3aS,7aR,E)-4-((Z)-2-((S)-5-((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)hexanoate

<<1-(3-butenyl)>-3-butynyloxy>(1,1-dimethylethyl)dimethylsilane

(1R,3aR,4S,7aR)-octahydro-1-[(S)-1-iodopropan-2-yl]-7a-methyl-1H-inden-4-ol

Downstream raw materials:

C₂₇H₃₈⁽²⁾H₆O₃