Bisphenol A Monobenzyl Ether

Base Information

• Chemical Name: Bisphenol A Monobenzyl Ether
• CAS No.: 42781-88-4
• Molecular Formula: C22H22O2
• Molecular Weight: 318.415
• Hs Code.: 2909500000
• DSSTox Substance ID: DTXSID10450234
• Nikkaji Number: J3.381.299J
• Wikidata: Q82269854
• Mol file: 42781-88-4.mol

Synonyms:Bisphenol A Monobenzyl Ether;42781-88-4;4-[2-(4-phenylmethoxyphenyl)propan-2-yl]phenol;AGN-PC-0NDOKN;SCHEMBL6059951;DTXSID10450234;FT-0663372;4-(2-(4-(Benzyloxy)phenyl)propan-2-yl)phenol;2-(4-Hydroxyphenyl)-2-[4-(benzyloxy)phenyl]propane

Chemical Property of Bisphenol A Monobenzyl Ether

Chemical Property:

• Melting Point: 102-104°C
• PSA: 29.46000
• LogP: 5.29710
• Storage Temp.: Refrigerator
• Solubility.: DMSO, Methanol
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 318.161979940
• Heavy Atom Count: 24
• Complexity: 356

Purity/Quality:

95% ^*data from raw suppliers

BisphenolAMonobenzylEther ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCC3=CC=CC=C3
• Uses: Protected Bisphenol A.

Technology Process of Bisphenol A Monobenzyl Ether

There total 2 articles about Bisphenol A Monobenzyl Ether 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: 59.7%

BPA (80-05-7) + benzyl bromide (100-39-0) → 4-(2-(4-(benzyloxy)phenyl)propan-2-yl)phenol (42781-88-4)

Guidance literature:

With sodium hydroxide; In water; at 80 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.jfluchem.2014.07.013

Reference yield:

→ 4-(2-(4-(benzyloxy)phenyl)propan-2-yl)phenol (42781-88-4)

Guidance literature:

Diol VIIIa, Benzylchlorid;

DOI:10.1021/ma60033a001

Reference yield: 92.0%

terephthalic acid mono-tert-butyl ester (20576-82-3) + 4-(2-(4-(benzyloxy)phenyl)propan-2-yl)phenol (42781-88-4) → terephthalic acid 1-{4-[1-(4-benzyloxy-phenyl)-1-methyl-ethyl]-phenyl} ester 4-tert-butyl ester (92002-09-0)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In tetrahydrofuran; at 0 - 20 ℃; for 3h;

upstream raw materials:

BPA

benzyl bromide

Downstream raw materials:

1,3-bis-{4-[1-(4-benzyloxy-phenyl)-1-methyl-ethyl]-phenoxy}-propan-2-ol

terephthalic acid 1-{4-[1-(4-benzyloxy-phenyl)-1-methyl-ethyl]-phenyl} ester 4-tert-butyl ester

C₃₉H₅₀O₅Si

[2-(4-{1-[4-(3-bromo-propoxy)-phenyl]-1-methyl-ethyl}-phenoxy)-1-(4-{1-[4-(3-bromo-propoxy)-phenyl]-1-methyl-ethyl}-phenoxymethyl)-ethoxy]-tert-butyl-dimethyl-silane

Refernces

• 1、 -. "ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE". Paragraph 0905-0904. . Retrieved 2019/12/15.