2-(1-methylene-3-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid

Base Information

• Chemical Name: 2-(1-methylene-3-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
• CAS No.: 62100-29-2
• Molecular Formula: C₁₂H₁₁NO₃
• Molecular Weight: 217.224
• Hs Code.: 2933790090
• DSSTox Substance ID: DTXSID90561913
• Mol file: 62100-29-2.mol

Synonyms:62100-29-2;2-(1-methylene-3-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid;2-(1-Methylene-3-oxoisoindolin-2-yl)propanoic acid;2-(1-methylidene-3-oxoisoindol-2-yl)propanoic acid;2-(1-methylidene-3-oxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid;1,3-Dihydro-|A-methyl-1-methylene-3-oxo-2H-isoindole-2-acetic acid;1,3-Dihydro-alpha-methyl-1-methylene-3-oxo-2H-isoindole-2-acetic acid;DTXSID90561913;CS-B1568;MFCD08444424;AKOS009102686;SB65604;CS-16915;EN300-25581;C13506;AB00755817-01;2-(1-Methylene-3-oxoisoindolin-2-yl)propanoicacid;Z211592804;1,3-Dihydro--methyl-1-methylene-3-oxo-2H-isoindole-2-acetic acid;1,3-Dihydro-?-methyl-1-methylene-3-oxo-2H-isoindole-2-acetic acid;2-(1-Methylidene-3-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid

Chemical Property of 2-(1-methylene-3-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.623
• Boiling Point: 451.337°C at 760 mmHg
• Flash Point: 226.761°C
• PSA: 57.61000
• Density: 1.329g/cm³
• LogP: 1.52410
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 217.07389321
• Heavy Atom Count: 16
• Complexity: 350

Purity/Quality:

98%Min ^*data from raw suppliers

2-(1-methylidene-3-oxo-2,3-dihydro-1H-isoindol-2-yl)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)O)N1C(=C)C2=CC=CC=C2C1=O

Technology Process of 2-(1-methylene-3-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid

There total 4 articles about 2-(1-methylene-3-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic 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: 59.0%

2-acetyl-benzoic acid (577-56-0) + L-alanin (56-41-7,25191-17-7,18875-37-1) → (S)-2-(1-Methylene-3-oxo-1,3-dihydro-isoindol-2-yl)-propionic acid (62100-29-2) + 2-(2-Acetyl-phenyl)-4-methyl-2H-oxazol-5-one

Guidance literature:

Product distribution; other amino acids;

DOI:10.1039/c39900000679

Reference yield:

2-acetyl-benzoic acid (577-56-0) + L-alanin (56-41-7,25191-17-7,18875-37-1) → 2-(2-acetyl-phenyl)-4-methyl-4H-oxazol-5-one (62100-37-2) + 2-(1-methylene-3-oxo-1,3-dihydro-isoindol-2-yl)-propionic acid (62100-29-2)

Guidance literature:

With acetic acid; In toluene;

DOI:10.1055/s-1977-24269

Reference yield:

rac-Ala-OH (302-72-7,25191-17-7,18875-37-1) + phthalidyliden-acetic acid (4743-57-1) → 2-(1-methylene-3-oxo-1,3-dihydro-isoindol-2-yl)-propionic acid (62100-29-2)

Guidance literature:

With acetic acid;

upstream raw materials:

rac-Ala-OH

phthalidyliden-acetic acid

2-acetyl-benzoic acid

L-alanin