3-beta-Hydroxy-17-beta-((N-methylpiperazino)acetylamino)-5-alpha-androstane

Base Information

Chemical Name:3-beta-Hydroxy-17-beta-((N-methylpiperazino)acetylamino)-5-alpha-androstane
CAS No.:114967-70-3
Molecular Formula:C₂₆H₄₅N₃O₂
Molecular Weight:431.662
Hs Code.:
DSSTox Substance ID:DTXSID80921562

Synonyms:3-beta-Hydroxy-17-beta-((N-methylpiperazino)acetylamino)-5-alpha-androstane;1-Piperazineacetamide, N-(3-hydroxyandrostan-17-yl)-4-methyl-, (3-beta,5-alpha,17-beta)-;114967-70-3;DTXSID80921562;C26H45N3O2;C26-H45-N3-O2;LS-109950;N-(3-Hydroxyandrostan-17-yl)-2-(4-methylpiperazin-1-yl)ethanimidic acid

Suppliers and Price of 3-beta-Hydroxy-17-beta-((N-methylpiperazino)acetylamino)-5-alpha-androstane

Supply Marketing:

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

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Chemical Property of 3-beta-Hydroxy-17-beta-((N-methylpiperazino)acetylamino)-5-alpha-androstane

Chemical Property:

Vapor Pressure:2.09E-16mmHg at 25°C
Boiling Point:590.5°C at 760 mmHg
Flash Point:311°C
Density:1.13g/cm³
XLogP3:4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:431.35117769
Heavy Atom Count:31
Complexity:678

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CCC(CC1CCC3C2CCC4(C3CCC4NC(=O)CN5CCN(CC5)C)C)O
Isomeric SMILES:C[C@]12CC[C@@H](C[C@@H]1CCC3C2CC[C@]4(C3CC[C@@H]4NC(=O)CN5CCN(CC5)C)C)O

Technology Process of 3-beta-Hydroxy-17-beta-((N-methylpiperazino)acetylamino)-5-alpha-androstane

There total 3 articles about 3-beta-Hydroxy-17-beta-((N-methylpiperazino)acetylamino)-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: 72.0%

: 109-01-3
1-methyl-piperazine

: 114967-81-6
3β-Hydroxy-17β-chloroacetylamino-5α-androstane

: 114967-70-3
3β-Hydroxy-17β-<(N-methylpiperazino)acetylamino>-5α-androstane

Guidance literature:: In isopropyl alcohol; Heating;
DOI:10.1007/BF00758270

Reference yield:

: 7738-80-9
17β-Amino-5α-androstan-3β-ol

: 114967-70-3
3β-Hydroxy-17β-<(N-methylpiperazino)acetylamino>-5α-androstane

Guidance literature:: Multi-step reaction with 2 steps

1: NaHCO₃ / dimethylformamide / 24 h

2: 72 percent / propan-2-ol / Heating

With sodium hydrogencarbonate; In N,N-dimethyl-formamide; isopropyl alcohol;
DOI:10.1007/BF00758270

Reference yield:

: 114967-80-5
3β-Chloroacetoxy-17β-chloroacetylamino-5α-androstane

: 114967-70-3
3β-Hydroxy-17β-<(N-methylpiperazino)acetylamino>-5α-androstane

Guidance literature:: Multi-step reaction with 2 steps

1: 85 percent / 1 N aq. KOH / methanol / 0.17 h / Heating

2: 72 percent / propan-2-ol / Heating

With potassium hydroxide; In methanol; isopropyl alcohol;
DOI:10.1007/BF00758270