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

Base Information

Chemical Name:3-beta-Trimethylaminoacetyloxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane HCl
CAS No.:126054-44-2
Molecular Formula:C₂₇H₄₆N₃O₂*Cl
Molecular Weight:480.134
Hs Code.:
DSSTox Substance ID:DTXSID80925388
Mol file:126054-44-2.mol

Synonyms:126054-44-2;3-beta-Trimethylaminoacetyloxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane HCl;Ethanaminium, 2-(((3-beta,5-alpha,17-beta)-17-((cyanomethyl)methylamino)androstan-3-yl)oxy)-N,N,N-trimethyl-2-oxo-, chloride;[2-[[(3S,5S,10S,13S,17S)-17-[cyanomethyl(methyl)amino]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-2-oxoethyl]-trimethylazanium;chloride;Ethanaminium, 2-(((3-beta,5-alpha,17-beta)-17-((cyanomethyl)methylamin o)androstan-3-yl)oxy)-N,N,N-t;C27H46N3O2.Cl;DTXSID80925388;PWDNSFYKBRGRQH-YYOVPXGGSA-M;C27-H46-N3-O2.Cl;LS-65103;2-({17-[(Cyanomethyl)(methyl)amino]androstan-3-yl}oxy)-N,N,N-trimethyl-2-oxoethan-1-aminium chloride

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

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

American Custom Chemicals Corporation
2-(((3-BETA,5-ALPHA,17-BETA)-17-((CYANOMETHYL)METHYLAMIN O)ANDROSTAN-3-YL)OXY)-N,N,N-TRIMETHYL-2-OXO- ETHANAMINIUM CHLORIDE 95.00%
5MG
$ 496.08

Total 3 raw suppliers

Chemical Property of 3-beta-Trimethylaminoacetyloxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane HCl

Chemical Property:

PSA：53.33000
LogP:1.47508
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:479.3278554
Heavy Atom Count:33
Complexity:767

Purity/Quality:

98% ^*data from raw suppliers

2-(((3-BETA,5-ALPHA,17-BETA)-17-((CYANOMETHYL)METHYLAMIN O)ANDROSTAN-3-YL)OXY)-N,N,N-TRIMETHYL-2-OXO- ETHANAMINIUM CHLORIDE 95.00% ^*data from reagent 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)C[N+](C)(C)C.[Cl-]
Isomeric SMILES:C[C@]12CC[C@@H](C[C@@H]1CCC3C2CC[C@]4(C3CC[C@@H]4N(C)CC#N)C)OC(=O)C[N+](C)(C)C.[Cl-]

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

There total 3 articles about 3-beta-Trimethylaminoacetyloxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane HCl 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: 85.0%

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

: 75-50-3
trimethylamine

: 126054-44-2
3β-trimethylaminoacetyloxy-17β-(N-methyl-N-cyanomethylamino)-5α-androstane hydrochloride

Guidance literature:: In N,N-dimethyl-formamide; for 1.5h;
DOI:10.1007/BF00764701

Reference yield:

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

: 126054-44-2
3β-trimethylaminoacetyloxy-17β-(N-methyl-N-cyanomethylamino)-5α-androstane hydrochloride

Guidance literature:: Multi-step reaction with 3 steps

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

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

3: 85 percent / dimethylformamide / 1.5 h

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

Reference yield:

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

: 126054-44-2
3β-trimethylaminoacetyloxy-17β-(N-methyl-N-cyanomethylamino)-5α-androstane hydrochloride

Guidance literature:: Multi-step reaction with 2 steps

1: 92 percent / Et₃N / dimethylformamide / 24 h / 20 °C

2: 85 percent / dimethylformamide / 1.5 h

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