3,3-Bis(4-methoxyphenyl)phthalide

Base Information

• Chemical Name: 3,3-Bis(4-methoxyphenyl)phthalide
• CAS No.: 6315-80-6
• Molecular Formula: C22H18O4
• Molecular Weight: 346.383
• NSC Number: 21021
• DSSTox Substance ID: DTXSID10281262
• Nikkaji Number: J117.988H
• Wikidata: Q82015113
• Mol file: 6315-80-6.mol

Synonyms:3,3-Bis(4-methoxyphenyl)phthalide;6315-80-6;3,3-bis(4-methoxyphenyl)-2-benzofuran-1-one;3,3-Bis(4-methoxyphenyl)isobenzofuran-1(3H)-one;NSC21021;1(3H)-Isobenzofuranone, 3,3-bis(4-methoxyphenyl)-;SCHEMBL3891626;DTXSID10281262;ACLVEZCDKFXULE-UHFFFAOYSA-N;NSC-21021;1(3H)-Isobenzofuranone,3-bis(4-methoxyphenyl)-;3,3-Bis(4-methoxyphenyl)-2-benzofuran-1(3H)-one #

Chemical Property of 3,3-Bis(4-methoxyphenyl)phthalide

Chemical Property:

• Vapor Pressure: 1.16E-10mmHg at 25°C
• Boiling Point: 513.6°Cat760mmHg
• Flash Point: 225.9°C
• PSA: 44.76000
• Density: 1.233g/cm³
• LogP: 4.16610
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 346.12050905
• Heavy Atom Count: 26
• Complexity: 464

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC=C(C=C4)OC

Technology Process of 3,3-Bis(4-methoxyphenyl)phthalide

There total 12 articles about 3,3-Bis(4-methoxyphenyl)phthalide 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: 98.0%

acide (dimethoxy-4'4 diphenylmethyl)-2 benzoique (7477-32-9) → 3,3-bis(4-methoxyphenyl)-3H-isobenzofuran-1-one (6315-80-6)

Guidance literature:

With Iron(III) nitrate nonahydrate; sodium bromate; In acetonitrile; at 20 ℃; for 18h; Inert atmosphere; Irradiation; Sealed tube;

DOI:10.1021/acs.orglett.1c01984

Reference yield: 93.0%

(2-(methoxymethyl)phenyl)bis(4-methoxyphenyl)methanol → 3,3-bis(4-methoxyphenyl)-3H-isobenzofuran-1-one (6315-80-6)

Guidance literature:

With tetrabutylammomium bromide; Eosin Y; oxygen; In acetonitrile; at 20 ℃; under 760.051 Torr; Irradiation;

DOI:10.1039/d1gc02297k

Reference yield: 66.0%

bis(p-methoxyphenyl)methanone (90-96-0) + o-iodo-methyl-benzoic acid (610-97-9) → 3,3-bis(4-methoxyphenyl)-3H-isobenzofuran-1-one (6315-80-6)

Guidance literature:

With (trimethylsilyl)methylmagnesium chloride; In tetrahydrofuran; at 20 ℃; for 12h;

DOI:10.1246/cl.170211

upstream raw materials:

diazomethane

phenolphthalin

phthalic anhydride

methoxybenzene