(S,S)-Hexestrol

Base Information

Chemical Name:(S,S)-Hexestrol
CAS No.:5635-50-7
Molecular Formula:C₁₈H₂₂O₂
Molecular Weight:270.371
Hs Code.:
European Community (EC) Number:227-082-2
Nikkaji Number:J2.196.427A
Wikipedia:Hexestrol
NCI Thesaurus Code:C545
Mol file:5635-50-7.mol

Synonyms:hexestrol;Hormoestrol;Mesohexestrol;Syntrogene;Estrifar;Estronal;Synthovo;Hexron;Erythrohexestrol;NSC 9894

Suppliers and Price of (S,S)-Hexestrol

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

American Custom Chemicals Corporation
3,4-BIS-(PARA-HYDROXYPHENYL)HEXANE 95.00%
5MG
$ 459.97

Total 13 raw suppliers

Chemical Property of (S,S)-Hexestrol

Chemical Property:

Vapor Pressure:5.92E-07mmHg at 25°C
Melting Point:185-188oC
Boiling Point:399.5°C at 760 mmHg
Flash Point:181.6°C
PSA：40.46000
Density:1.093g/cm³
LogP:4.78520
Water Solubility.:11.8mg/L(temperature not stated)
XLogP3:5.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:270.161979940
Heavy Atom Count:20
Complexity:235

Purity/Quality:

97% ^*data from raw suppliers

3,4-BIS-(PARA-HYDROXYPHENYL)HEXANE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s): T
Hazard Codes:T
Statements: 45
Safety Statements: 53-45

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(C1=CC=C(C=C1)O)C(CC)C2=CC=C(C=C2)O
Isomeric SMILES:CC[C@H](C1=CC=C(C=C1)O)[C@H](CC)C2=CC=C(C=C2)O
Uses Vitestrol can be used in methods related to bioactive agents that convert from anions to molecules

Technology Process of (S,S)-Hexestrol

There total 28 articles about (S,S)-Hexestrol 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: 86.0%

: rac-4,4'-[(3R,4R)-hexa-1,5-diyne-3,4-diyl]diphenol

: 84-16-2,5635-50-7,5776-72-7,29555-62-2,53625-22-2,26614-21-1
dl-hexestrol

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethyl acetate; at 20 ℃; for 48h;
DOI:10.1016/S0022-328X(03)00539-4

Reference yield:

: 130-78-9,28199-75-9,28231-25-6,53584-73-9
racem.-3,4-bis-(4-methoxy-phenyl)-hexane

: 84-16-2,5635-50-7,5776-72-7,29555-62-2,53625-22-2,26614-21-1
dl-hexestrol

Guidance literature:: With potassium hydroxide; at 200 ℃;
DOI:10.1080/713678000

Reference yield:

: 130-79-0
Diethylstilbestrol dimethyl ether

: 84-16-2,5635-50-7,5776-72-7,29555-62-2,53625-22-2,26614-21-1
dl-hexestrol

Guidance literature:: Multi-step reaction with 2 steps

1: methanol; Raney nickel / 210 °C / 194910 Torr / Hydrogenation

2: aqueous HI; acetic acid / 135 - 140 °C

With methanol; hydrogen iodide; nickel; acetic acid;
DOI:10.1021/ja01225a506