4-(1,3-dihydro-2H-isoindol-2-yl)benzoic acid

Base Information

• Chemical Name: 4-(1,3-dihydro-2H-isoindol-2-yl)benzoic acid
• CAS No.: 329715-35-7
• Molecular Formula: C₁₅H₁₃NO₂
• Molecular Weight: 239.274
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30350045
• Mol file: 329715-35-7.mol

Synonyms:329715-35-7;4-(1,3-Dihydro-isoindol-2-yl)-benzoic acid;4-(1,3-dihydro-2H-isoindol-2-yl)benzoic acid;4-(Isoindolin-2-yl)benzoic acid;4-(1,3-dihydroisoindol-2-yl)benzoic acid;CBMicro_026404;Cambridge id 5616316;Oprea1_293085;4-(Isoindolin-2-yl)benzoicacid;DTXSID30350045;MFCD00755022;STK102604;AKOS000300671;CCG-113756;SB64423;BS-37537;BIM-0026322.P001;CS-0314110;FT-0677251;AB00090613-01;A875468;SR-01000505793;SR-01000505793-1

Chemical Property of 4-(1,3-dihydro-2H-isoindol-2-yl)benzoic acid

Chemical Property:

• Vapor Pressure: 2.81E-09mmHg at 25°C
• Boiling Point: 460.5°C at 760 mmHg
• Flash Point: 232.3°C
• PSA: 40.54000
• Density: 1.284g/cm³
• LogP: 2.97000
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 239.094628657
• Heavy Atom Count: 18
• Complexity: 296

Purity/Quality:

97% ^*data from raw suppliers

4-(1,3-Dihydro-isoindol-2-yl)-benzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=CC=CC=C2CN1C3=CC=C(C=C3)C(=O)O

Technology Process of 4-(1,3-dihydro-2H-isoindol-2-yl)benzoic acid

There total 1 articles about 4-(1,3-dihydro-2H-isoindol-2-yl)benzoic acid 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:

α,α'-dibromo-o-xylene (91-13-4) + 4-methoxycarbonyl aniline (619-45-4) → 2-(4-carboxyphenyl)isoindoline (329715-35-7)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / acetonitrile / 3 h / 50 °C

2: lithium hydroxide / methanol; tetrahydrofuran; water / 1 h / 50 °C

With potassium carbonate; lithium hydroxide; In tetrahydrofuran; methanol; water; acetonitrile;

DOI:10.1016/j.jphotochem.2021.113185

upstream raw materials:

α,α'-dibromo-o-xylene

4-methoxycarbonyl aniline