Metahexestrol

Base Information

Chemical Name:Metahexestrol
CAS No.:71953-72-5
Molecular Formula:C₁₈H₂₂O₂
Molecular Weight:270.371
Hs Code.:
UNII:DSF584X94B
Nikkaji Number:J395.089A
ChEMBL ID:CHEMBL44879
Mol file:71953-72-5.mol

Synonyms:1,2-diethyl-1,2-bis(3'-hydroxyphenyl)ethane;3,3'-HES;3,4-bis(3'-hydroxyphenyl)hexane;meso-3,4-bis(3'-hydroxyphenyl)hexane;metahexestrol;NSC 297170;NSC 297170, (R*,R*)-(+-)-isomer;NSC 297170, (R*,S*)-isomer;NSC-297170

Suppliers and Price of Metahexestrol

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 2 raw suppliers

Chemical Property of Metahexestrol

Chemical Property:

PSA：71.06000
LogP:0.42760
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:251

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(C1=CC(=CC=C1)O)C(CC)C2=CC(=CC=C2)O
Isomeric SMILES:CC[C@H](C1=CC(=CC=C1)O)[C@@H](CC)C2=CC(=CC=C2)O

Technology Process of Metahexestrol

There total 8 articles about Metahexestrol 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:

: 71953-69-0
meso-3,4-Bis<3-methoxyphenyl>-hexane

: 71953-72-5
Metahexestrol

Guidance literature:: With pyridine hydrochloride; at 220 ℃;

Reference yield:

: 52956-27-1
1-(3-methoxyphenyl)propanol

: 71953-72-5
Metahexestrol

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) n-C₄H₉Li; 2.) n-C₄H₉Li, (C₂H₅)3N, TiCl₃ / 1.) hexane, 1,2-dimethoxyethane; 2.) room temp., 2 h; reflux, 16 h

2: ether cleavage

With n-butyllithium; titanium(III) chloride; triethylamine;