2-Propenoic acid, 2-[(phenylmethylene)amino]-, methyl ester

Base Information

• Chemical Name: 2-Propenoic acid, 2-[(phenylmethylene)amino]-, methyl ester
• CAS No.: 70361-62-5
• Molecular Formula: C₁₁H₁₁NO₂
• Molecular Weight: 189.214
• DSSTox Substance ID: DTXSID40446029
• Nikkaji Number: J999.486F
• Mol file: 70361-62-5.mol

Synonyms:70361-62-5;2-Propenoic acid, 2-[(phenylmethylene)amino]-, methyl ester;DTXSID40446029;2-(Benzylideneamino)acrylic acid methyl ester

Chemical Property of 2-Propenoic acid, 2-[(phenylmethylene)amino]-, methyl ester

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 189.078978594
• Heavy Atom Count: 14
• Complexity: 240

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(=C)N=CC1=CC=CC=C1

Technology Process of 2-Propenoic acid, 2-[(phenylmethylene)amino]-, methyl ester

There total 6 articles about 2-Propenoic acid, 2-[(phenylmethylene)amino]-, methyl ester 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:

N-Benzyliden-L-serin-methylester (40216-75-9) → 2-(Benzylidenamino)propensaeure-methylester (70361-62-5)

Guidance literature:

With triethylamine; 1,1'-carbonyldiimidazole; In tetrahydrofuran; diethyl ether; pentane;

Reference yield:

Imidazole-1-carboxylic acid 2-methoxycarbonyl-2-{[1-phenyl-meth-(E)-ylidene]-amino}-ethyl ester (89891-09-8) → 2-(Benzylidenamino)propensaeure-methylester (70361-62-5)

Guidance literature:

With triethylamine; In tetrahydrofuran; diethyl ether; for 0.05h; Ambient temperature;

Reference yield:

N-benzylidene-L-serine methyl ester (40216-75-9) → 2-(Benzylidenamino)propensaeure-methylester (70361-62-5)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether; tetrahydrofuran

2: triethylamine / 0.05 h / Ambient temperature

With triethylamine; In tetrahydrofuran; diethyl ether;

upstream raw materials:

Imidazole-1-carboxylic acid 2-methoxycarbonyl-2-{[1-phenyl-meth-(E)-ylidene]-amino}-ethyl ester

Imidazole-1-carboxylic acid (S)-2-methoxycarbonyl-2-{[1-phenyl-meth-(E)-ylidene]-amino}-ethyl ester

N-benzylidene-L-serine methyl ester

benzaldehyde

Downstream raw materials:

N-Benzyliden-S-ethyl-DL-cystein-methylester

(RS)-2-(Benzylidenamino)butansaeure-methylester

methyl 2-(benzylideneamino)-3-phenylpropionate

(RS)-2-(Benzylidenamino)heptansaeure-methylester