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

Base Information

• Chemical Name: 3-(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid
• CAS No.: 4770-70-1
• Molecular Formula: C₁₅H₁₁NO₃
• Molecular Weight: 253.257
• Hs Code.: 2933998090
• ChEMBL ID: CHEMBL1256607
• DSSTox Substance ID: DTXSID401227748
• Mol file: 4770-70-1.mol

Synonyms:3-(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid;4770-70-1;3-(1-oxoisoindolin-2-yl)benzoic acid;3-(3-oxo-1H-isoindol-2-yl)benzoic acid;3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)benzoic acid;CHEMBL1256607;DTXSID401227748;MFCD04358395;AKOS002846503;AS-8319;CS-0332102;3-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)benzoic acid;3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)benzoicacid

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

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 253.07389321
• Heavy Atom Count: 19
• Complexity: 382

Purity/Quality:

99%, ^*data from raw suppliers

3-(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C2=CC=CC=C2C(=O)N1C3=CC=CC(=C3)C(=O)O

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

There total 7 articles about 3-(1-Oxo-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: 86.0%

2-(3-methoxycarbonylphenyl)isoindolin-1-one → 3-(1-oxo-1H-2,3-dihydroisoindol-2-yl)benzoic acid (4770-70-1)

Guidance literature:

2-(3-methoxycarbonylphenyl)isoindolin-1-one; With lithium hydroxide; In tetrahydrofuran; methanol; water; at 50 ℃; for 1h;

With hydrogenchloride; In water;

DOI:10.1016/j.jphotochem.2021.113185

Reference yield: 56.0%

meta-aminobenzoic acid (99-05-8,159139-79-4) + o-phthalic dicarboxaldehyde (643-79-8) → 3-(1-oxo-1H-2,3-dihydroisoindol-2-yl)benzoic acid (4770-70-1)

Guidance literature:

In water; acetone; at 110 ℃; for 3h;

DOI:10.1016/j.bmcl.2010.08.034

Reference yield:

Methyl 3-aminobenzoate (4518-10-9) + o-carboxybenzaldehyde (119-67-5) → 3-(1-oxo-1H-2,3-dihydroisoindol-2-yl)benzoic acid (4770-70-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: phenylboronic acid / methanol / 0.25 h / 0 °C

1.2: 2 h / 50 °C

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

With lithium hydroxide; phenylboronic acid; In tetrahydrofuran; methanol; water;

DOI:10.1016/j.jphotochem.2021.113185

upstream raw materials:

meta-aminobenzoic acid

o-phthalic dicarboxaldehyde

Methyl 3-aminobenzoate

o-carboxybenzaldehyde

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 4770-70-1 3-(1-OXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)BENZOIC ACID

Send

Send

Metric Ton KG G Pound L ML

Send

Send