Methyl bis(4-hydroxyphenyl)acetate

Base Information

• Chemical Name: Methyl bis(4-hydroxyphenyl)acetate
• CAS No.: 5129-00-0
• Molecular Formula: C15H14 O4
• Molecular Weight: 258.274
• Hs Code.: 2918290000
• European Community (EC) Number: 225-870-0
• DSSTox Substance ID: DTXSID7063712
• Nikkaji Number: J60.954D
• Wikidata: Q81990959
• Mol file: 5129-00-0.mol

Synonyms:Methyl bis(4-hydroxyphenyl)acetate;5129-00-0;methyl 2,2-bis(4-hydroxyphenyl)acetate;EINECS 225-870-0;Benzeneacetic acid, 4-hydroxy-.alpha.-(4-hydroxyphenyl)-, methyl ester;2,2-bis(4-hydroxyphenyl)acetic acid methyl ester;Benzeneacetic acid, 4-hydroxy-alpha-(4-hydroxyphenyl)-, methyl ester;SCHEMBL384968;DTXSID7063712;Acetic acid, bis(p-hydroxyphenyl)-, methyl ester;2,2-bis(4-hydroxyphenyl)acetic acid-methyl ester 100 microg/mL in Acetonitrile

Chemical Property of Methyl bis(4-hydroxyphenyl)acetate

Chemical Property:

• Vapor Pressure: 5.4E-08mmHg at 25°C
• Melting Point: 153-154 °C
• Boiling Point: 429.9°C at 760 mmHg
• PKA: 9.41±0.10(Predicted)
• Flash Point: 161.8°C
• PSA: 66.76000
• Density: 1.272g/cm³
• LogP: 2.40270
• Storage Temp.: Refrigerator
• Solubility.: Methanol (slightly)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 258.08920892
• Heavy Atom Count: 19
• Complexity: 267

Purity/Quality:

99%, ^*data from raw suppliers

Methyl2,2-bis(4-Hydroxyphenyl)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
• Uses: Methyl 2,2-bis(4-Hydroxyphenyl)acetate is a colour developer.

Technology Process of Methyl bis(4-hydroxyphenyl)acetate

There total 10 articles about Methyl bis(4-hydroxyphenyl)acetate 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: 98.72%

methanol (67-56-1) + 2,2-bis (4-hydroxyphenyl)acetic acid (40232-93-7) → methyl 2,2-bis(4-hydroxyphenyl)acetate (5129-00-0)

Guidance literature:

With sulfuric acid; for 3h; Reflux;

Reference yield:

phenol (108-95-2,27073-41-2) → methyl 2,2-bis(4-hydroxyphenyl)acetate (5129-00-0)

Guidance literature:

Multi-step reaction with 2 steps

1: conc. H₂SO₄ / H₂O / 18 h / 20 °C

2: conc. H₂SO₄ / 3 h / Heating

With sulfuric acid; In water; 1: Condensation / 2: Esterification;

DOI:10.1021/jm000180n

Reference yield:

phenol (108-95-2,27073-41-2) → methyl 2,2-bis(4-hydroxyphenyl)acetate (5129-00-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous sulfuric acid

2: diethyl ether

With diethyl ether; sulfuric acid;

DOI:10.1021/jo01094a030

upstream raw materials:

diazomethane

2,2-bis (4-hydroxyphenyl)acetic acid

methanol

phenol

Downstream raw materials:

Bis-<4-hydroxy-phenyl>-essigsaeure-hydrazid

Refernces

• 1、 Kolasa,Gunn,Bhatia,Basha,Craig,Stewart,Bouska,Harris,Hulkower,Malo,Bell,Carter,Brooks. "Symmetrical bis(heteroarylmethoxyphenyl)alkylcarboxylic acids as inhibitors of leukotriene biosynthesis". . p. 3322 - 3334. Retrieved 2007/10/03.