3-beta-Chloroacetoxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane

Base Information

Chemical Name:3-beta-Chloroacetoxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane
CAS No.:126054-43-1
Molecular Formula:C₂₄H₃₇ClN₂O₂
Molecular Weight:421.023
Hs Code.:
DSSTox Substance ID:DTXSID20925387
Mol file:126054-43-1.mol

Synonyms:BRN 4209328;126054-43-1;3-beta-Chloroacetoxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane;Acetic acid, chloro-, (3-beta,5-alpha,17-beta)-17-((cyanomethyl)methylamino)androstan-3-yl ester;DTXSID20925387;C24-H37-Cl-N2-O2;17-[(Cyanomethyl)(methyl)amino]androstan-3-yl chloroacetate

Suppliers and Price of 3-beta-Chloroacetoxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane

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 3-beta-Chloroacetoxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane

Chemical Property:

Vapor Pressure:3.27E-11mmHg at 25°C
Boiling Point:527.4°C at 760 mmHg
Flash Point:272.8°C
Density:1.15g/cm³
XLogP3:5.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:420.2543561
Heavy Atom Count:29
Complexity:690

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CCC(CC1CCC3C2CCC4(C3CCC4N(C)CC#N)C)OC(=O)CCl
Isomeric SMILES:C[C@]12CC[C@@H](C[C@@H]1CCC3C2CC[C@]4(C3CC[C@@H]4N(C)CC#N)C)OC(=O)CCl

Technology Process of 3-beta-Chloroacetoxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane

There total 2 articles about 3-beta-Chloroacetoxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane 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: 92.0%

: 126054-42-0
3β-hydroxy-17β-(N-methyl-N-cyanomethylamino)-5α-androstane

: 79-04-9
chloroacetyl chloride

: 126054-43-1
3β-chloroacetoxy-17β-(N-methyl-N-cyanomethylamino)-5α-androstane

Guidance literature:: With triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 24h;
DOI:10.1007/BF00764701

Reference yield:

: 94763-57-2
3β-Hydroxy-17β-(N-methylamino)-5α-androstane

: 126054-43-1
3β-chloroacetoxy-17β-(N-methyl-N-cyanomethylamino)-5α-androstane

Guidance literature:: Multi-step reaction with 2 steps

1: 74 percent / NaHCO₃ / dimethylformamide / 3 h / 60 - 65 °C

2: 92 percent / Et₃N / dimethylformamide / 24 h / 20 °C

With sodium hydrogencarbonate; triethylamine; In N,N-dimethyl-formamide;
DOI:10.1007/BF00764701