Vitamin D2 SO2 Adduct

Base Information

• Chemical Name: Vitamin D2 SO2 Adduct
• CAS No.: 87680-65-7
• Molecular Formula: C₂₈H₄₄O₃S
• Molecular Weight: 460.722
• Mol file: 87680-65-7.mol

Synonyms:(S)-3-[(1R,3aS,7aR)-7a-Methyl-1-((E)-(1R,4R)-1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-(4E)-ylidenemethyl]-2,2-dioxo-2,3,4,5,6,7-hexahydro-1H-2λ⁶-benzo[c]thiophen-5-ol

Chemical Property of Vitamin D2 SO2 Adduct

Chemical Property:

• Boiling Point: 606.2±55.0 °C(Predicted)
• PKA: 14.34±0.40(Predicted)
• Density: 1.11±0.1 g/cm3(Predicted)
• Solubility.: Dichloromethane, Dimethyl Sulfoxide, Ethyl Acetate, Methanol

Purity/Quality:

99% ^*data from raw suppliers

Vitamin D2 SO2 Adduct ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Vitamin D2 SO2 Adduct

There total 4 articles about Vitamin D2 SO2 Adduct 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: 100.0%

Calciferol (50-14-6) → (S)-3-[(1R,3aS,7aR)-7a-Methyl-1-((E)-(1R,4R)-1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-(4E)-ylidenemethyl]-2,2-dioxo-2,3,4,5,6,7-hexahydro-1H-2λ6-benzo[c]thiophen-5-ol (87680-65-7)

Guidance literature:

With sulfur dioxide; 1.) reflux, 30 min, 2.) RT, 30 min;

DOI:10.1248/cpb.43.189

Reference yield:

ergocalciferol (50-14-6,51744-66-2,61177-68-2,116559-84-3,137174-35-7) → (S)-3-[(1R,3aS)-7a-Methyl-1-((E)-(1R,4R)-1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-(4E)-ylidenemethyl]-2,2-dioxo-2,3,4,5,6,7-hexahydro-1H-2λ6-benzo[c]thiophen-5-ol (87407-73-6,87417-22-9,87680-65-7)

Guidance literature:

With sulfur dioxide; In water; benzene;

DOI:10.1021/jo00359a061

Reference yield:

vitamin D2 (50-14-6,51744-66-2,61177-68-2,116559-84-3,137174-35-7) → (S)-3-[(R)-7a-Methyl-1-((E)-(1R,4R)-1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-(4E)-ylidenemethyl]-2,2-dioxo-2,3,4,5,6,7-hexahydro-1H-2λ6-benzo[c]thiophen-5-ol (87407-73-6,87417-22-9,87680-65-7)

Guidance literature:

With sulfur dioxide; for 0.5h; Heating;

DOI:10.1248/cpb.40.1662

upstream raw materials:

Calciferol

(7Z)-Vitamin D₂

ergocalciferol

vitamin D₂

Downstream raw materials:

(3S,6R)-(tert-butyldimethylsilyloxy)-9,10-seco-ergosta-5,7(E),10⁽¹⁹⁾,22(E)-tetraene SO₂ adduct

(3S,6S)-(tert-butyldimethylsilyloxy)-9,10-seco-ergosta-5,7(E),10⁽¹⁹⁾,22(E)-tetraene SO₂-adduct

SO2-adduct of 3(S)-<(tert-butyldimethylsilyl)oxy>-9,10-secoergosta-5,7(E),10(19),22(E)-tetraene

3β-hydroxy-9,10-secoergosta-5(E),7(E),10(19),22(E)-tetraene