Anordiol

Base Information

• Chemical Name: Anordiol
• CAS No.: 1045-29-0
• Molecular Formula: C₂₂H₃₀O₂
• Molecular Weight: 326.479
• UNII: 5G6H10Z92J
• DSSTox Substance ID: DTXSID60909005
• Nikkaji Number: J59.379F
• Wikipedia: Anordiol
• Wikidata: Q27262091
• Mol file: 1045-29-0.mol

Synonyms:2,17,diethynyl-2,17-dihydroxy-A-norandrostane;A-norandrostane-2 alpha,17 alpha-diethynyl-2 beta,17 beta-diol;AF 45;AF-45;anordiol;anordiol, (2beta,17alpha)-isomer;anordiol, (2beta,5alpha,17alpha)-isomer;anordiol, (5alpha,17alpha)-isomer;H 241;H241

Chemical Property of Anordiol

Chemical Property:

• Vapor Pressure: 3.27E-09mmHg at 25°C
• Refractive Index: 1.5344 (estimate)
• 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

ANORDIOL 95.00% ^*data from reagent 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 Anordiol

There total 10 articles about Anordiol 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:

C28H46O2Si2 → anordiol (1045-29-0)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; for 3h;

Reference yield:

3β-Hydroxy-17β-benzoyloxy-5α-androstan (6242-26-8) → anordiol (1045-29-0)

Guidance literature:

Multi-step reaction with 4 steps

1: (i) aq. CrO₃, AcOH, (ii) aq. NaOH

2: (i) Ac₂O, (ii) NaOH, aq. EtOH

3: CrO₃ / aq. acetic acid

4: dimethylsulfoxide; tetrahydrofuran

With chromium(VI) oxide; In tetrahydrofuran; acetic acid; dimethyl sulfoxide;

Reference yield:

17β-hydroxy-A-nor-5α-androstan-2-one (1032-10-6) → anordiol (1045-29-0)

Guidance literature:

Multi-step reaction with 2 steps

1: CrO₃ / aq. acetic acid

2: dimethylsulfoxide; tetrahydrofuran

With chromium(VI) oxide; In tetrahydrofuran; acetic acid; dimethyl sulfoxide;

upstream raw materials:

(2α,17α)-diethynyl-A-nor-5α-androstane-(2β,17β)-diol dipropionate

A-nor-5α-androstan-2,17-dione

lithium acetylide-ethylenediamine complex

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

Downstream raw materials:

(2α,17α)-diethynyl-A-nor-5α-androstane-(2β,17β)-diol dipropionate