2-((3-Aminophenyl)methylene)butyric acid

Base Information

• Chemical Name: 2-((3-Aminophenyl)methylene)butyric acid
• CAS No.: 59150-78-6
• Molecular Formula: C11H13 N O2
• Molecular Weight: 191.23
• European Community (EC) Number: 261-628-0
• Nikkaji Number: J308.630E
• Mol file: 59150-78-6.mol

Synonyms:2-((3-Aminophenyl)methylene)butyric acid;59150-78-6;EINECS 261-628-0;2-[(3-AMINOPHENYL)METHYLENE]BUTYRIC ACID;2-[(3-Aminophenyl)methylene]butanoic acid

Chemical Property of 2-((3-Aminophenyl)methylene)butyric acid

Chemical Property:

• Vapor Pressure: 1.3E-06mmHg at 25°C
• Boiling Point: 384.9°C at 760 mmHg
• Flash Point: 186.6°C
• PSA: 63.32000
• Density: 1.194g/cm³
• LogP: 2.72800
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 191.094628657
• Heavy Atom Count: 14
• Complexity: 235

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=CC1=CC(=CC=C1)N)C(=O)O
• Isomeric SMILES: CC/C(=C\C1=CC(=CC=C1)N)/C(=O)O

Technology Process of 2-((3-Aminophenyl)methylene)butyric acid

There total 3 articles about 2-((3-Aminophenyl)methylene)butyric 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:

2-(3-Nitro-benzyliden)-buttersaeure (5253-02-1) → 2-[(3-aminophenyl)methylene]butyric acid (59150-78-6)

Guidance literature:

With hydrogen; nickel; In methanol;

Reference yield:

3-nitro-benzaldehyde (99-61-6) → 2-[(3-aminophenyl)methylene]butyric acid (59150-78-6)

Guidance literature:

Multi-step reaction with 2 steps

1: (nPrCO)2O

2: H₂ / Raney-Ni / methanol

With butanoic acid anhydride; hydrogen; nickel; In methanol;

Reference yield:

α-ethyl-m-nitrocinnamic acid (124525-55-9) → 2-ethyl-3t-(3-amino-phenyl)-acrylic acid (59150-78-6)

Guidance literature:

With ammonium hydroxide; iron(II) sulfate;

upstream raw materials:

2-(3-Nitro-benzyliden)-buttersaeure

3-nitro-benzaldehyde

α-ethyl-m-nitrocinnamic acid

Downstream raw materials:

2-(3-amino-benzyl)-butyric acid

α-Ethyl-β-<3-hydroxy-phenyl>-acrylsaeure

2-(3-Amino-2,4,6-triiod-benzyliden)-buttersaeure

2-ethyl-3t-(3-amino-2,4,6-trichloro-phenyl)-acrylic acid