4-Androsten-17a-ol-3-one-2,2,4,6,6-d5

Base Information

• Chemical Name: 4-Androsten-17a-ol-3-one-2,2,4,6,6-d5
• CAS No.: 165195-35-7
• Molecular Formula: C19H23D5O2
• Molecular Weight: 293.455
• Mol file: 165195-35-7.mol

Synonyms:4-ANDROSTEN-17ALPHA-OL-3-ONE-2,2,4,6,6-D5;4-ANDROSTEN-17A-OL-3-ONE-2,2,4,6,6-D5;Epitestosterone-2,2,4,6,6-D5;4-Androsten-17a-ol-3-one-d5

Chemical Property of 4-Androsten-17a-ol-3-one-2,2,4,6,6-d5

Chemical Property:

• PSA: 37.30000
• LogP: 3.87920

Purity/Quality:

4-ANDROSTEN-17ALPHA-OL-3-ONE-2,2,4,6,6-D5 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 4-Androsten-17alpha-ol-3-one-2,2,4,6,6-d5 (CAS# 165195-35-7) is a useful isotopically labeled research compound.

Technology Process of 4-Androsten-17a-ol-3-one-2,2,4,6,6-d5

There total 7 articles about 4-Androsten-17a-ol-3-one-2,2,4,6,6-d5 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%

testosterone (58-22-0) → <2,2,4,6,6-2H5>testosterone (21002-80-2,165195-35-7)

Guidance literature:

With [D]-sodium hydroxide; deuteromethanol; water-d2; at 120 ℃; for 0.0166667h; Inert atmosphere; Microwave irradiation;

DOI:10.1016/j.bmc.2012.06.052

Reference yield: 99.0%

[1α,2,2,4,6,6,16,16-2H8]androst-4-ene-3,17-dione (4273-45-4) → [1α,2,2,4,6,6,16,16,17α-2H9]androst-4-en-17β-ol-3-one (638163-35-6,165195-35-7,171199-96-5,204244-83-7)

Guidance literature:

With sodium borodeuteride; In water-d2; at 0 ℃; for 2h;

DOI:10.1016/S0039-128X(03)00102-8

Reference yield:

Androsta-1,4-diene-3,17-dione (897-06-3) → [1α,2,2,4,6,6,16,16,17α-2H9]androst-4-en-17β-ol-3-one (638163-35-6,165195-35-7,171199-96-5,204244-83-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 90.2 percent / D₂O / [Ph₃P]3RhCl / benzene-d6 / 1 h / 20 °C

2: 63.5 percent / NaOD / D₂O; CH₃OD / 24 h / 65 °C

3: 99 percent / NaBD₄ / D₂O; various solvent(s) / 2 h / 0 °C

With sodium borodeuteride; deuteriated sodium hydroxide; water-d2; Wilkinson's catalyst; In deuteromethanol; benzene-d6; water-d2;

DOI:10.1016/S0039-128X(03)00102-8

upstream raw materials:

testosterone

[1α,2,2,4,6,6,16,16-2H8]androst-4-ene-3,17-dione

Androsta-1,4-diene-3,17-dione

[1α,2α-2H2]androst-4-ene-3,17-dione

Downstream raw materials:

[1α,16,16,17α-2H4]androst-4-en-17β-ol-3-one

[1α,16,16,17α-2H4]androst-4-en-6β,17β-diol-3-one