Methestrol

Base Information

• Chemical Name: Methestrol
• CAS No.: 130-73-4
• Deprecated CAS: 10491-34-6
• Molecular Formula: C20H26 O2
• Molecular Weight: 298.42
• Hs Code.: 2907299090
• UNII: 199O25Z2BQ
• DSSTox Substance ID: DTXSID90861783
• Nikkaji Number: J5.434H
• Wikipedia: Methestrol
• Wikidata: Q25091460
• NCI Thesaurus Code: C90948
• ChEMBL ID: CHEMBL279605
• Mol file: 130-73-4.mol

Synonyms:methestrol;promethestrol

Chemical Property of Methestrol

Chemical Property:

• Vapor Pressure: 1.3E-07mmHg at 25°C
• Melting Point: 145°
• Refractive Index: 1.4800 (estimate)
• Boiling Point: 418.9°Cat760mmHg
• Flash Point: 185.9°C
• PSA: 40.46000
• Density: 1.066g/cm³
• LogP: 5.40200
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 298.193280068
• Heavy Atom Count: 22
• Complexity: 298

Purity/Quality:

98%min ^*data from raw suppliers

METHESTROL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C1=CC(=C(C=C1)O)C)C(CC)C2=CC(=C(C=C2)O)C

Technology Process of Methestrol

There total 8 articles about Methestrol 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:

Propionic acid 4-[1-ethyl-2-(3-methyl-4-propionyloxy-phenyl)-butyl]-2-methyl-phenyl ester (84-13-9) → meso-3,4-bis(4-hydroxy-3-methylphenyl)hexane (130-73-4)

Guidance literature:

With potassium hydroxide;

DOI:10.1021/ja01182a023

Reference yield:

optically inactive 3,4-bis-(4-acetoxy-3-methyl-phenyl)-hexane (6193-26-6) → meso-3,4-bis(4-hydroxy-3-methylphenyl)hexane (130-73-4)

Guidance literature:

With potassium hydroxide;

DOI:10.1021/ja01182a023

Reference yield:

hexestrol (84-16-2,26614-21-1) → meso-3,4-bis(4-hydroxy-3-methylphenyl)hexane (130-73-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 48 percent / ethanol; H₂O / 8 h / Heating

2: 1.) Me₂SO₄, 2.) NaCNBH₃ / 1.) ether, RT, 1 h, 2.) HMPA, 120 deg C, 16 h

With sodium cyanoborohydride; dimethyl sulfate; In ethanol; water;

DOI:10.1021/jm00362a010

upstream raw materials:

optically inactive 3,4-bis-(4-acetoxy-3-methyl-phenyl)-hexane

Propionic acid 4-[1-ethyl-2-(3-methyl-4-propionyloxy-phenyl)-butyl]-2-methyl-phenyl ester

meso-3,4-bis<3-<(dimethylamino)methyl>-4-hydroxyphenyl>hexane

hexestrol

Downstream raw materials:

3,4-bis-(4-butyryloxy-3-methyl-phenyl)-hexane

opt.-inakt. 3,4-Bis-(4-butoxy-3-methyl-phenyl>-hexan

opt.-inakt. 3,4-Bis-(3-methyl-4-propoxy-phenyl>-hexan

3,4-bis-(4-methoxy-3-methyl-phenyl)-hexane