17-Hydroxy-10-mercaptoestr-4-en-3-one

Base Information

Chemical Name:17-Hydroxy-10-mercaptoestr-4-en-3-one
CAS No.:51101-80-5
Molecular Formula:C₁₈H₂₆O₂S
Molecular Weight:306.469
Hs Code.:
DSSTox Substance ID:DTXSID60965383
Mol file:51101-80-5.mol

Synonyms:10 beta-hydroxy-10 beta-mercaptoestr-4-en-one;10-HMEEO;17-hydroxy-10-mercaptoestr-4-en-3-one

Suppliers and Price of 17-Hydroxy-10-mercaptoestr-4-en-3-one

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 3 raw suppliers

Chemical Property of 17-Hydroxy-10-mercaptoestr-4-en-3-one

Chemical Property:

Vapor Pressure:7.8E-11mmHg at 25°C
Boiling Point:470.6°Cat760mmHg
Flash Point:238.4°C
PSA：76.10000
Density:1.2g/cm³
LogP:3.54150
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:306.16535124
Heavy Atom Count:21
Complexity:513

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=CC(=O)CCC34S
Isomeric SMILES:C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CCC34S

Technology Process of 17-Hydroxy-10-mercaptoestr-4-en-3-one

There total 7 articles about 17-Hydroxy-10-mercaptoestr-4-en-3-one 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: 34.0%

: 51101-79-2
5α,17β-dihydroxy-10β-mercaptoestran-3-one

: 51101-80-5
17β-hydroxy-10β-mercaptoestr-4-en-3-one

Guidance literature:: With sodium hydroxide; In methanol; for 1h; Heating;
DOI:10.1021/jm00383a014

Reference yield:

: 51101-78-1
5α,17β-dihydroxy-10β-mercaptoestran-3-one ethylene acetal

: 51101-80-5
17β-hydroxy-10β-mercaptoestr-4-en-3-one

Guidance literature:: Multi-step reaction with 2 steps

1: 77 percent / p-TsOH / acetone

2: 34 percent / 0.1 M NaOH / methanol / 1 h / Heating

With sodium hydroxide; toluene-4-sulfonic acid; In methanol; acetone;
DOI:10.1021/jm00383a014

Reference yield:

: 1089-78-7
17β-hydroxy-estr-5(10)-en-3-one

: 51101-80-5
17β-hydroxy-10β-mercaptoestr-4-en-3-one

Guidance literature:: Multi-step reaction with 7 steps

1: p-TsOH / benzene / 19 h / Heating

2: pyridine / 4 h / Ambient temperature

3: H₂O, N-bromosuccinimide, MgO / dimethylformamide / 2 h

4: NaOMe / methanol / 8 h / 6 °C

5: 35 percent / NaHS / various solvent(s) / 2 h / 140 °C

6: 77 percent / p-TsOH / acetone

7: 34 percent / 0.1 M NaOH / methanol / 1 h / Heating

With pyridine; sodium hydroxide; N-Bromosuccinimide; sodium hydrogensulfide; water; sodium methylate; magnesium oxide; toluene-4-sulfonic acid; In methanol; N,N-dimethyl-formamide; acetone; benzene;
DOI:10.1021/jm00383a014