3beta,17-Dihydroxypregn-5-en-20-one 3-formate

Base Information

Chemical Name:3beta,17-Dihydroxypregn-5-en-20-one 3-formate
CAS No.:20867-15-6
Molecular Formula:C22H32O4
Molecular Weight:360.494
Hs Code.:
European Community (EC) Number:244-090-1
Nikkaji Number:J21.283K
Mol file:20867-15-6.mol

Synonyms:20867-15-6;3beta,17-Dihydroxypregn-5-en-20-one 3-formate;SCHEMBL6759282;EINECS 244-090-1;NS00050850

Suppliers and Price of 3beta,17-Dihydroxypregn-5-en-20-one 3-formate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of 3beta,17-Dihydroxypregn-5-en-20-one 3-formate

Chemical Property:

Melting Point:200-204 °C
Boiling Point:481.5°Cat760mmHg
PKA:13.00±0.70(Predicted)
Flash Point:161.7°C
PSA：63.60000
Density:1.16g/cm³
LogP:4.44680
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:360.23005950
Heavy Atom Count:26
Complexity:655

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)C1(CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC=O)C)C)O
Isomeric SMILES:CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC=O)C)C)O

Technology Process of 3beta,17-Dihydroxypregn-5-en-20-one 3-formate

There total 6 articles about 3beta,17-Dihydroxypregn-5-en-20-one 3-formate 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: 83.0%

: 64-18-6
formic acid

: 387-79-1
17-Hydroxypregnenolone

: 20867-15-6
3β-formyloxy-17-hydroxy-pregn-5-en-20-one

Guidance literature:: In water; at 70 ℃; for 2h;

Reference yield:

: 14072-39-0
16β-bromo-3β,17α-dihydroxypregn-5-ene-20-one

: 20867-15-6
3β-formyloxy-17-hydroxy-pregn-5-en-20-one

Guidance literature:: Multi-step reaction with 2 steps

1: palladium/charcoal; methanol; ammonium acetate / Hydrogenation

2: water

With ammonium acetate; methanol; palladium on activated charcoal; water;
DOI:10.1021/ja01585a031

Reference yield:

: 974-23-2
3β-hydroxy-16α,17α-epoxypregn-5-en-20-one

: 20867-15-6
3β-formyloxy-17-hydroxy-pregn-5-en-20-one

Guidance literature:: Multi-step reaction with 3 steps

1: acetic acid; HBr

2: palladium/charcoal; methanol; ammonium acetate / Hydrogenation

3: water

With ammonium acetate; methanol; palladium on activated charcoal; water; hydrogen bromide; acetic acid;
DOI:10.1021/ja01585a031