Phenol, 4,4'-(1,1-dimethyl-3-methylene-1,3-propanediyl)bis-

Base Information

• Chemical Name: Phenol, 4,4'-(1,1-dimethyl-3-methylene-1,3-propanediyl)bis-
• CAS No.: 13464-24-9
• Molecular Formula: C18H20 O2
• Molecular Weight: 268.356
• Hs Code.: 2907299090
• European Community (EC) Number: 622-258-9
• UNII: TZ5YWX57VV
• DSSTox Substance ID: DTXSID0065482
• Nikkaji Number: J53.476E
• Wikipedia: 4-Methyl-2,4-bis(4-hydroxyphenyl)pent-1-ene
• Wikidata: Q4637168
• Metabolomics Workbench ID: 67954
• Mol file: 13464-24-9.mol

Synonyms:4-methyl-2,4-bis(4-hydroxyphenyl)pent-1-ene;MBP cpd

Chemical Property of Phenol, 4,4'-(1,1-dimethyl-3-methylene-1,3-propanediyl)bis-

Chemical Property:

• Vapor Pressure: 9.74E-08mmHg at 25°C
• Melting Point: 128-132 °C
• Boiling Point: 422.5°Cat760mmHg
• PKA: 10.10±0.15(Predicted)
• Flash Point: 195.6°C
• PSA: 40.46000
• Density: 1.103g/cm³
• LogP: 4.47890
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Dichloromethane (Slightly), Methanol (Slightly)
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 268.146329876
• Heavy Atom Count: 20
• Complexity: 318

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,4-Bis(4-hydroxyphenyl)-4-methyl-1-pentene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CC(=C)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
• Uses: 2,4-Bis(4-hydroxyphenyl)-4-methyl-1-pentene is an intermediate in synthesizing 4,4''-(1,3,3-Trimethyl-1-propene-1,3-diyl)bisphenol (T796655), a Bisphenol A (B519495) impurity with estrogenic activity.

Technology Process of Phenol, 4,4'-(1,1-dimethyl-3-methylene-1,3-propanediyl)bis-

There total 2 articles about Phenol, 4,4'-(1,1-dimethyl-3-methylene-1,3-propanediyl)bis- 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: 76.0%

BPA (80-05-7) → 4-methyl-2,4-bis(p-hydroxyphenyl)pent-1-ene (13464-24-9) + 4-methyl-2,4-bis(p-hydroxyphenyl)pent-2-ene

Guidance literature:

BPA; With sulfuric acid; at 25 ℃; for 0.333333h;

With water; cooling;

DOI:10.1021/ol0493305

Reference yield:

→ 4-methyl-2,4-bis(p-hydroxyphenyl)pent-1-ene (13464-24-9)

Guidance literature:

upstream raw materials:

BPA

Refernces

• 1、 -. "Indene compound and novel process for producing indene compounds". . . Retrieved 2008/06/13.