25-Hydroxydihydrotachysterol(2)

Base Information

• Chemical Name: 25-Hydroxydihydrotachysterol(2)
• CAS No.: 98830-20-7
• Molecular Formula: C28H46 O2
• Molecular Weight: 414.67
• Nikkaji Number: J499.839A
• Mol file: 98830-20-7.mol

Synonyms:25-DHT(2);25-hydroxydihydrotachysterol(2)

Chemical Property of 25-Hydroxydihydrotachysterol(2)

Chemical Property:

• Vapor Pressure: 8.99E-14mmHg at 25°C
• Boiling Point: 537°Cat760mmHg
• Flash Point: 222.1°C
• PSA: 40.46000
• Density: 1.051g/cm³
• LogP: 6.83580
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 414.349780706
• Heavy Atom Count: 30
• Complexity: 685

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC(CC1=CC=C2CCCC3(C2CCC3C(C)C=CC(C)C(C)(C)O)C)O
• Isomeric SMILES: C[C@H]\1CC[C@@H](C/C1=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)(C)O)C)O

Technology Process of 25-Hydroxydihydrotachysterol(2)

There total 21 articles about 25-Hydroxydihydrotachysterol(2) 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: 95.0%

25-<(methoxymethyl)oxy>dihydrotachysterol2 tert-butyldimethylsilyl ether (141277-87-4,143060-76-8) → 25-hydroxydihydrotachysterol2 (98830-20-7)

Guidance literature:

With AG-50WX₄ ion exchange resin; In methanol; for 12h; Ambient temperature;

DOI:10.1021/jo00045a038

Reference yield:

(2E)-2-<(2'S,5'S)-5'-<(tert-butyldimethylsilyl)oxy>-2'-methylcyclohexylidene>ethanol (142980-92-5) → 25-hydroxydihydrotachysterol2 (98830-20-7)

Guidance literature:

Multi-step reaction with 2 steps

2: 1) MeLi / 1) ether, THF, -70 deg C, 1 h, 2) -70 deg C, 2 h

With methyllithium;

DOI:10.1016/S0040-4020(01)85618-0

Reference yield:

(2E)-ethyl <(2'S,5'S)-5'-<(tert-butyldimethylsilyl)oxy>-2'-methylcyclohexylidene>ethanoate (142980-91-4) → 25-hydroxydihydrotachysterol2 (98830-20-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 97 percent / DIBAL-H / toluene / 1 h / -78 °C

3: 1) MeLi / 1) ether, THF, -70 deg C, 1 h, 2) -70 deg C, 2 h

With methyllithium; diisobutylaluminium hydride; In toluene;

DOI:10.1016/S0040-4020(01)85618-0

upstream raw materials:

(22E,24S)-de-A,B-25-<(methoxymethyl)oxy>ergost-22-en-8-one

(2E)-<2-<(2'S,5'S)-5'-<(tert-butyldimethylsilyl)oxy>-2'-methylcyclohexylidene>ethyl>diphenylphosphine oxide

25-<(methoxymethyl)oxy>dihydrotachysterol₂ tert-butyldimethylsilyl ether

Calciferol