2-Hydroxy-3-deoxyestradiol

Base Information

• Chemical Name: 2-Hydroxy-3-deoxyestradiol
• CAS No.: 2259-89-4
• Molecular Formula: C18H24 O2
• Molecular Weight: 272.387
• Nikkaji Number: J359.191C
• Wikidata: Q27148769
• ChEMBL ID: CHEMBL1627936
• Mol file: 2259-89-4.mol

Synonyms:2-hydroxy-3-deoxyestradiol

Chemical Property of 2-Hydroxy-3-deoxyestradiol

Chemical Property:

• Vapor Pressure: 2.33E-08mmHg at 25°C
• Boiling Point: 435.6°C at 760 mmHg
• Flash Point: 204°C
• Density: 1.17g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 272.177630004
• Heavy Atom Count: 20
• Complexity: 382

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=C(C=C4)O
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=C(C=C4)O

Technology Process of 2-Hydroxy-3-deoxyestradiol

There total 11 articles about 2-Hydroxy-3-deoxyestradiol 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:

2-methoxy-estra-1,3,5(10)-trien-17β-ol (17553-16-1) → Estratriene-2,17beta-diol (2259-89-4)

Guidance literature:

With pyridine hydrochloride;

Reference yield:

2-Acetyl-Δ1,3,5(10)-oestratrien-ol-(17β)-acetat-oxim → Estratriene-2,17beta-diol (2259-89-4)

Guidance literature:

Multi-step reaction with 3 steps

1: POCl₃, Py

2: HCl / ethanol

3: (i) NaNO₂, aq. HCl, (ii) H₂O, (heating), (iii) NaBH₄, EtOH

With pyridine; hydrogenchloride; trichlorophosphate; In ethanol;

Reference yield:

2-Acetamino-Δ 1,3,5(10)-oestratrien-ol-(17β)-acetat (3063-66-9) → Estratriene-2,17beta-diol (2259-89-4)

Guidance literature:

Multi-step reaction with 2 steps

1: HCl / ethanol

2: (i) NaNO₂, aq. HCl, (ii) H₂O, (heating), (iii) NaBH₄, EtOH

With hydrogenchloride; In ethanol;

upstream raw materials:

2-methoxy-estra-1,3,5(10)-trien-17β-ol

2-Aminoestratrien-17beta-ol

Δ^1,3,5(10)-Oestratriendiol-(2,17β)-diacetat

3-Deoxyestradiol

Downstream raw materials:

17β-Hydroxy-2-O-<2-benzoyl-4-nitro-phenyl>-Δ^1,3,5(10)-oestratrien

2-methoxy-estra-1,3,5(10)-trien-17β-ol