A-Norandrostane-2alpha,17alpha-diethynyl-2beta,17beta-diol

Base Information

• Chemical Name: A-Norandrostane-2alpha,17alpha-diethynyl-2beta,17beta-diol
• CAS No.: 1045-30-3
• Molecular Formula: C₂₂H₃₀O₂
• Molecular Weight: 326.479
• Nikkaji Number: J3.029.302I
• Wikidata: Q76010085
• Mol file: 1045-30-3.mol

Synonyms:1045-30-3;A-Norandrostane-2alpha,17alpha-diethynyl-2beta,17beta-diol;(2S,3aS,3bS,5aS,6R,8aS,8bR,10aS)-2,6-diethynyl-3a,5a-dimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]indene-2,6-diol;(2alpha,5alpha,17alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol;2,17-Diethynyl-2,17-dihydroxy-A-norandrostane;A-Norpregn-20-yne-2,17-diol, 2-ethynyl-, (2alpha,5alpha,17alpha)-;Dicyclopenta(a,f)naphthalene-1,7-diol, 1,7-diethynylhexadecahydro-8a,10a-dimethyl-, (1R,3aS,3bR,5aS,7S,8aS,8bS,10aS)-

Chemical Property of A-Norandrostane-2alpha,17alpha-diethynyl-2beta,17beta-diol

Chemical Property:

• Vapor Pressure: 3.27E-09mmHg at 25°C
• Boiling Point: 430.4°Cat760mmHg
• Flash Point: 188.7°C
• PSA: 40.46000
• Density: 1.15g/cm³
• LogP: 3.36760
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 326.224580195
• Heavy Atom Count: 24
• Complexity: 664

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4C3(CC(C4)(C#C)O)C
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CC[C@@H]4[C@@]3(C[C@@](C4)(C#C)O)C

Technology Process of A-Norandrostane-2alpha,17alpha-diethynyl-2beta,17beta-diol

There total 6 articles about A-Norandrostane-2alpha,17alpha-diethynyl-2beta,17beta-diol 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:

3β-Hydroxy-17β-benzoyloxy-5α-androstan (6242-26-8) → 2β,17α-Diethinyl-A-nor-5α-androstan-2α,17β-diol (1045-30-3)

Guidance literature:

Multi-step reaction with 4 steps

1: (i) aq. CrO₃, AcOH, (ii) aq. NaOH

2: (i) Ac₂O, (ii) NaOH, aq. EtOH

3: (i) KOCMe₂Et, (ii) CrO₃, Py

4: tetrahydrofuran; dimethylsulfoxide

In tetrahydrofuran; dimethyl sulfoxide;

Reference yield:

17β-hydroxy-A-nor-5α-androstan-2-one (1032-10-6) → 2β,17α-Diethinyl-A-nor-5α-androstan-2α,17β-diol (1045-30-3)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) KOCMe₂Et, (ii) CrO₃, Py

2: tetrahydrofuran; dimethylsulfoxide

In tetrahydrofuran; dimethyl sulfoxide;

Reference yield:

17β-hydroxy-2,3-seco-5α-androstane-2,3-dioic acid (1046-34-0) → 2β,17α-Diethinyl-A-nor-5α-androstan-2α,17β-diol (1045-30-3)

Guidance literature:

Multi-step reaction with 3 steps

1: (i) Ac₂O, (ii) NaOH, aq. EtOH

2: (i) KOCMe₂Et, (ii) CrO₃, Py

3: tetrahydrofuran; dimethylsulfoxide

In tetrahydrofuran; dimethyl sulfoxide;

upstream raw materials:

hydroxy-2α ethynyl-2β oxo-17 A-nor(5α)androstane

lithium acetylide-ethylenediamine complex

3β-Hydroxy-17β-benzoyloxy-5α-androstan

17β-hydroxy-A-nor-5α-androstan-2-one