Cholecalciferol

Base Information

• Chemical Name: Cholecalciferol
• CAS No.: 80666-48-4
• Molecular Formula: C₂₇H₄₄O
• Molecular Weight: 387.622
• Hs Code.: 2845901000
• Mol file: 80666-48-4.mol

Synonyms:

Chemical Property of Cholecalciferol

Chemical Property:

• Flash Point: 14°C
• Storage Temp.: -20°C

Purity/Quality:

NLT 98% ^*data from raw suppliers

VitaminD3-d3 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: Deuterated vitamin D3(6,19,19-d3) solution is also known as cholecalciferol (6, 19, 19-d3). This product can be used as an internal analytical standard for the quantification of vitamin D3 concentration in dietary supplements, fortified foods or within a complex biological matrix using LC-MS/MS. This product may be used as an analytical standard.

Technology Process of Cholecalciferol

There total 3 articles about 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:

(3R,5S)-3-[(1R,3aS,7aR)-1-((R)-1,5-Dimethyl-hexyl)-7a-methyl-octahydro-inden-(4E)-ylidenemethyl]-2,2-dioxo-2,3,4,5,6,7-hexahydro-1H-2λ6-benzo[c]thiophen-5-ol (71726-02-8,71726-03-9,73272-02-3,73272-03-4,73809-08-2,73837-60-2,86834-12-0,87649-53-4) → vitamin D3-d3 (72506-00-4,80666-48-4)

Guidance literature:

Multi-step reaction with 2 steps

1: deuterium oxide, potassium t-butoxide / dimethylformamide / Ambient temperature

2: 1.) NaHCO₃, 2.) eosyn-Y / 1.) DMF, 90 degC, 5 h; 2.) EtOH, irradiation

With potassium tert-butylate; Eosin Y; water-d2; sodium hydrogencarbonate; In N,N-dimethyl-formamide;

DOI:10.1016/S0040-4039(01)81834-7

Reference yield:

C27H41(2)H3O3S (80666-46-2,80666-47-3) → vitamin D3-d3 (72506-00-4,80666-48-4)

Guidance literature:

With Eosin Y; sodium hydrogencarbonate; Yield given. Multistep reaction; 1.) DMF, 90 degC, 5 h; 2.) EtOH, irradiation;

DOI:10.1016/S0040-4039(01)81834-7

Reference yield:

→ (5E,7E)-6,19,19-trideuterio-9,10-seco-cholesta-5,7,10(19)-trien-3α-ol (72506-00-4,80666-48-4)

Guidance literature:

Sulfonaddukt 2a/2'a, CH3OD/t-BuOK/D2O; Abtr. durch Chromat.;

DOI:10.1007/BF00938303

upstream raw materials:

C₂₇H₄₁⁽²⁾H₃O₃S

(3R,5S)-3-[(1R,3aS,7aR)-1-((R)-1,5-Dimethyl-hexyl)-7a-methyl-octahydro-inden-(4E)-ylidenemethyl]-2,2-dioxo-2,3,4,5,6,7-hexahydro-1H-2λ⁶-benzo[c]thiophen-5-ol