7alpha-Hydroxyestradiol

Base Information

Chemical Name:7alpha-Hydroxyestradiol
CAS No.:3398-11-6
Molecular Formula:C18H24 O3
Molecular Weight:288.387
Hs Code.:
NSC Number:89844
Nikkaji Number:J893.841E
Wikidata:Q27159762
Metabolomics Workbench ID:123728
ChEMBL ID:CHEMBL1627570
Mol file:3398-11-6.mol

Synonyms:estra-1,3,5(10)-triene-3,7,17-triol

Suppliers and Price of 7alpha-Hydroxyestradiol

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

Total 4 raw suppliers

Chemical Property of 7alpha-Hydroxyestradiol

Chemical Property:

Vapor Pressure:1.54E-10mmHg at 25°C
Melting Point:237 - 238 °C
Boiling Point:493.1°Cat760mmHg
Flash Point:233.7°C
PSA：60.69000
Density:1.255g/cm³
LogP:2.58000
XLogP3:2.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:288.17254462
Heavy Atom Count:21
Complexity:411

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CCC3C(C1CCC2O)C(CC4=C3C=CC(=C4)O)O
Isomeric SMILES:C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)O

Technology Process of 7alpha-Hydroxyestradiol

There total 10 articles about 7alpha-Hydroxyestradiol 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%

: 10506-72-6
3,17β-diacetoxy-6α,7α-epoxy-estra-1,3,5(10)-triene

: 3398-11-6
7α-hydroxyestradiol

Guidance literature:: In tetrahydrofuran;

Reference yield:

: 1758-24-3
3-acetoxy-estra-1,3,5⁽¹⁰⁾,6-tetraen-17-one

: 3398-11-6
7α-hydroxyestradiol

Guidance literature:: Multi-step reaction with 4 steps

1: ethylene glycol; benzene; toluene-4-sulfonic acid-monohydrate

2: monoperoxyphthalic acid; diethyl ether

3: LiAlH₄; THF

4: NaBH₄; aqueous methanol

With tetrahydrofuran; methanol; sodium tetrahydroborate; lithium aluminium tetrahydride; monoperoxyphthalic acid; diethyl ether; toluene-4-sulfonic acid; ethylene glycol; benzene;
DOI:10.1021/ja01555a052

Reference yield:

: 23820-91-9
3-acetoxy-17,17-ethanediyldioxy-estra-1,3,5⁽¹⁰⁾,6-tetraene

: 3398-11-6
7α-hydroxyestradiol

Guidance literature:: Multi-step reaction with 3 steps

1: monoperoxyphthalic acid; diethyl ether

2: LiAlH₄; THF

3: NaBH₄; aqueous methanol

With tetrahydrofuran; methanol; sodium tetrahydroborate; lithium aluminium tetrahydride; monoperoxyphthalic acid; diethyl ether;
DOI:10.1021/ja01555a052