Hexestrol dibutyrate

Base Information

• Chemical Name: Hexestrol dibutyrate
• CAS No.: 36557-18-3
• Molecular Formula: C26H34 O4
• Molecular Weight: 410.554
• Hs Code.: 2917399090
• European Community (EC) Number: 253-102-4
• DSSTox Substance ID: DTXSID30865826
• Nikkaji Number: J332.314E
• Mol file: 36557-18-3.mol

Synonyms:Hexestrol dibutyrate;36557-18-3;EINECS 253-102-4;DTXSID30865826;(Hexane-3,4-diyl)di(4,1-phenylene) dibutanoate;Dibutyric acid 1,2-diethylethylenebis(4,1-phenylene) ester

Chemical Property of Hexestrol dibutyrate

Chemical Property:

• Vapor Pressure: 6.41E-10mmHg at 25°C
• Boiling Point: 494.5°C at 760 mmHg
• Flash Point: 237.5°C
• PSA: 52.60000
• Density: 1.047g/cm³
• LogP: 6.78500
• XLogP3: 7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 410.24570956
• Heavy Atom Count: 30
• Complexity: 455

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC(=O)OC1=CC=C(C=C1)C(CC)C(CC)C2=CC=C(C=C2)OC(=O)CCC

Technology Process of Hexestrol dibutyrate

There total 2 articles about Hexestrol dibutyrate 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) → 3,4-bis-(4-butyryloxy-phenyl)-hexane (36557-18-3)

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:

butanoic acid anhydride (106-31-0) + hexestrol (84-16-2,26614-21-1) → 3,4-bis-(4-butyryloxy-phenyl)-hexane (36557-18-3)

Guidance literature:

With pyridine;

DOI:10.1021/ja01853a060

upstream raw materials:

butanoic acid anhydride

hexestrol

meso-hexestrol dimethyl ether