1(3H)-Isobenzofuranone, 3-(4-bromophenyl)-

Base Information

• Chemical Name: 1(3H)-Isobenzofuranone, 3-(4-bromophenyl)-
• CAS No.: 25933-36-2
• Molecular Formula: C14H9BrO2
• Molecular Weight: 289.128
• DSSTox Substance ID: DTXSID80442227
• Nikkaji Number: J1.944.916E
• Mol file: 25933-36-2.mol

Synonyms:25933-36-2;3-(4-Bromophenyl)isobenzofuran-1(3H)-one;1(3H)-Isobenzofuranone, 3-(4-bromophenyl)-;3-(4-Bromophenyl)-3H-2-benzofuran-1-one;3-(p-bromophenyl)phthalide;Phthalide, 3-(p-bromophenyl)-;DTXSID80442227;NOBDTJIRKOOPJW-UHFFFAOYSA-N;STK695128;3-(4-bromophenyl)-2-benzofuran-1(3H)-one

Chemical Property of 1(3H)-Isobenzofuranone, 3-(4-bromophenyl)-

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 287.97859
• Heavy Atom Count: 17
• Complexity: 297

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(OC2=O)C3=CC=C(C=C3)Br

Technology Process of 1(3H)-Isobenzofuranone, 3-(4-bromophenyl)-

There total 20 articles about 1(3H)-Isobenzofuranone, 3-(4-bromophenyl)- 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%

acetylene (74-86-2,25067-58-7) + propynoic acid 1-(4-bromo-phenyl)-prop-2-ynyl ester → (±)-3-(4-bromophenyl)isobenzofuran-1(3H)-one (25933-36-2)

Guidance literature:

tris(triphenylphosphine)rhodium(I) chloride; In toluene; at 20 ℃; under 760 Torr;

DOI:10.1055/s-2002-34883

Reference yield: 83.0%

2-(4-bromobenzoyl)benzaldehyde (23864-86-0) → (±)-3-(4-bromophenyl)isobenzofuran-1(3H)-one (25933-36-2)

Guidance literature:

In dimethyl sulfoxide; for 72h; Inert atmosphere; UV-irradiation;

DOI:10.1021/ol300757m

Reference yield: 82.0%

4-Bromophenylboronic acid (5467-74-3) + o-phthalic dicarboxaldehyde (643-79-8) → (±)-3-(4-bromophenyl)isobenzofuran-1(3H)-one (25933-36-2)

Guidance literature:

With potassium carbonate; 1,2-bis-(diphenylphosphino)ethane; cobalt(II) iodide; In tetrahydrofuran; at 80 ℃; for 12h; Inert atmosphere;

DOI:10.1039/c1cc13771a

upstream raw materials:

2-(4-bromobenzoyl)benzoic acid

bromobenzene

o-carboxybenzaldehyde

acetylene

Downstream raw materials:

methyl 2-(4-bromobenzyl)benzoate

2-(4-Brombenzyl)-phenylessigsaeure

p-bromobenzylbenzylcyanide

2-Brom-11-oxodibenzocycloheptadien