Hexestrol dipropionate

Base Information

• Chemical Name: Hexestrol dipropionate
• CAS No.: 4825-53-0
• Molecular Formula: C24H30O4
• Molecular Weight: 382.5
• European Community (EC) Number: 225-400-4
• DSSTox Substance ID: DTXSID40964036
• Nikkaji Number: J262.480J
• Wikipedia: Hexestrol_dipropionate
• Wikidata: Q24883658
• ChEMBL ID: CHEMBL1577591
• Mol file: 4825-53-0.mol

Synonyms:HEXESTROL DIPROPIONATE;4825-53-0;[4-[4-(4-propanoyloxyphenyl)hexan-3-yl]phenyl] propanoate;MLS000028406;EINECS 225-400-4;SMR000058378;4,4'-(1,2-Diethylethylene)diphenyl dipropionate;HEXESTROLDIPROPIONATE;Oprea1_638290;cid_107342;SCHEMBL4312531;CHEMBL1577591;BDBM40493;DTXSID40964036;HMS2235M04;STK366321;3,4-Di-(p-propionoxyphenyl)-n-hexan;AKOS005443007;NCGC00018161-02;FT-0722296;hexane-3,4-diyldibenzene-4,1-diyl dipropanoate;(Hexane-3,4-diyl)di(4,1-phenylene) dipropanoate;hexestrol dipropionate (undefined stereochemistry);Q24883658;4,4'-(hexane-3,4-diyl)bis(4,1-phenylene) dipropionate;4,4'-(1,2-Diethyl-1,2-ethanediyl)bisphenol dipropionate;Hexestrol dipropionate, analytical standard, for drug analysis;propanoic acid [4-[4-[4-(1-oxopropoxy)phenyl]hexan-3-yl]phenyl] ester;propionic acid [4-[1-ethyl-2-(4-propionyloxyphenyl)butyl]phenyl] ester

Chemical Property of Hexestrol dipropionate

Chemical Property:

• Vapor Pressure: 5.49E-09mmHg at 25°C
• Boiling Point: 469.5°Cat760mmHg
• Flash Point: 225.8°C
• PSA: 52.60000
• Density: 1.066g/cm³
• LogP: 6.00480
• Storage Temp.: 2-8°C
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 382.21440943
• Heavy Atom Count: 28
• Complexity: 429

Purity/Quality:

98%Min ^*data from raw suppliers

Hexestrol dipropionate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 40
• Safety Statements: 22-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(C1=CC=C(C=C1)OC(=O)CC)C(CC)C2=CC=C(C=C2)OC(=O)CC
• Uses: Hexestrol Dipropionate reduces the damage from extensive necrosis of the renal tubules in male mice.

Technology Process of Hexestrol dipropionate

There total 7 articles about Hexestrol dipropionate 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:

meso-hexestrol dimethyl ether (28231-25-6) → Hexestrol dipropionate (4825-53-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous HI; acetic acid

2: pyridine

With pyridine; hydrogen iodide; acetic acid;

DOI:10.1021/ja01853a060

Reference yield:

3,4-bis-(4-propionyloxy-phenyl)-hex-3c-ene (130-80-3,10048-66-5,37221-14-0) → Hexestrol dipropionate (4825-53-0)

Guidance literature:

With palladium on activated charcoal; ethanol; Hydrogenation;

DOI:10.1038/151305a0

Reference yield:

hexestrol (84-16-2,26614-21-1) + propionic acid anhydride (123-62-6) → Hexestrol dipropionate (4825-53-0)

Guidance literature:

With pyridine;

DOI:10.1021/ja01853a060

upstream raw materials:

3,4-bis-(4-propionyloxy-phenyl)-hex-3c-ene

hexestrol

propionyl chloride

propionic acid anhydride

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