4-Aza-androst-5(6)-ene-3,17-dione

Base Information

Chemical Name:4-Aza-androst-5(6)-ene-3,17-dione
CAS No.:51478-09-2
Molecular Formula:C18H25NO2
Molecular Weight:287.402
Hs Code.:
DSSTox Substance ID:DTXSID201105057
Nikkaji Number:J2.610.875F
Mol file:51478-09-2.mol

Synonyms:SCHEMBL3797856;YEZLLJPPICEITN-LNINBKOHSA-N;DTXSID201105057;4-Aza-androst-5(6)-ene-3,17-dione;(4aR,4bS,6aS,9aS,9bR)-4a,6a-dimethyl-4,4a,4b,5,6,6a,9,9a,9b,10-decahydro-1H-indeno[5,4-f]quinoline-2,7(3H,8H)-dione;[4aR-(4aalpha,4bbeta,6aalpha,9abeta,9balpha)]-3,4,4a,4b,5,6,6a,8,9,9a,9b,10-Dodecahydro-4a,6a-dimethyl-1H-indeno[5,4-f]quinoline-2,7-dione

Suppliers and Price of 4-Aza-androst-5(6)-ene-3,17-dione

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 3 raw suppliers

Chemical Property of 4-Aza-androst-5(6)-ene-3,17-dione

Chemical Property:

PSA：50.19000
LogP:3.30310
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:287.188529040
Heavy Atom Count:21
Complexity:551

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(=O)N4)C
Isomeric SMILES:C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CCC(=O)N4)C

Technology Process of 4-Aza-androst-5(6)-ene-3,17-dione

There total 7 articles about 4-Aza-androst-5(6)-ene-3,17-dione 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: 92.8%

: 51478-09-2
4-aza-5α-androstene-3,17-dione

Guidance literature:: With ammonium acetate; In water; at 100 ℃; for 2h; Large scale;

Reference yield: 90.0%

: 6857-88-1
3-((3aS,5aS,6R,9aR,9bS)-3a,6-dimethyl-3,7-dioxododecahydro-1H-cyclopenta[a]naphthalen-6-yl)propanoic acid

: 57-13-6
urea

: 51478-09-2
4-aza-5α-androstene-3,17-dione

Guidance literature:: With boron trifluoride diethyl etherate; at 140 ℃; for 0.05h; microwave irradiation;
DOI:10.1016/j.steroids.2008.01.022

Reference yield: 58.0%

: 6857-88-1
3-((3aS,5aS,6R,9aR,9bS)-3a,6-dimethyl-3,7-dioxododecahydro-1H-cyclopenta[a]naphthalen-6-yl)propanoic acid

: 51478-09-2
4-aza-5α-androstene-3,17-dione

Guidance literature:: 3-((3aS,5aS,6R,9aR,9bS)-3a,6-dimethyl-3,7-dioxododecahydro-1H-cyclopenta[a]naphthalen-6-yl)propanoic acid; With ammonia; In ethylene glycol; at -10 - 160 ℃;

With hydrogenchloride; In water; ethylene glycol; pH=1 - 1.5; Product distribution / selectivity;