N-Phenethylsuccinamic acid

Base Information

• Chemical Name: N-Phenethylsuccinamic acid
• CAS No.: 1083-55-2
• Molecular Formula: C12H15NO3
• Molecular Weight: 221.256
• European Community (EC) Number: 635-816-1
• UNII: LBT0B5V56B
• DSSTox Substance ID: DTXSID90398286
• Nikkaji Number: J1.533.700A
• Wikidata: Q27282906
• ChEMBL ID: CHEMBL152671
• Mol file: 1083-55-2.mol

Synonyms:1083-55-2;N-Phenethylsuccinamic acid;4-Oxo-4-(2-phenylethylamino)butanoic acid;4-oxo-4-(phenethylamino)butanoic acid;Succinamic acid, N-phenethyl-;3-[(2-phenylethyl)carbamoyl]propanoic acid;UNII-LBT0B5V56B;N-Phenethyl-succinamic acid;LBT0B5V56B;CHEMBL152671;4-Oxo-4-((2-phenylethyl)amino)butyric acid;Butanoic acid, 4-oxo-4-((2-phenylethyl)amino)-;Butanoic acid, 4-oxo-4-[(2-phenylethyl)amino]-;4-oxo-4-[(2-phenylethyl)amino]butanoic acid;SR-01000510128;PESA;N-(phenethyl)succinamic acid;N-(phenethyl) succinamic acid;SCHEMBL166980;DTXSID90398286;ZMYKITJYWFYRFJ-UHFFFAOYSA-N;BAA08355;BDBM50136846;MFCD00090738;STK028400;4-oxo-4-(phenethylamino)butanoicacid;AKOS002669871;SB79797;CS-0259835;3-[N-(2-phenylethyl)carbamoyl]propionic acid;EN300-7427609;A1-05546;SR-01000510128-1;Q27282906;Z57432391

Chemical Property of N-Phenethylsuccinamic acid

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 221.10519334
• Heavy Atom Count: 16
• Complexity: 234

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCNC(=O)CCC(=O)O

Technology Process of N-Phenethylsuccinamic acid

There total 1 articles about N-Phenethylsuccinamic 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:

→ N-(2-phenylethyl)succinamic acid (1083-55-2)

Guidance literature:

Bernsteinsaeureanhydrid, entspr. Amin;

DOI:10.1021/bi00586a025

Reference yield:

N-(2-phenylethyl)succinamic acid (1083-55-2) → N-phenethylsuccinimide (1016-50-8)

Guidance literature:

Reference yield:

N-(2-phenylethyl)succinamic acid (1083-55-2) + 4-chlorocarbonyl-piperazine-1-carboxylic acid allyl ester (705962-14-7) + 4-((2S,3R)-2-Carboxy-4-oxo-azetidin-3-ylmethyl)-piperidine-1-carboxylic acid tert-butyl ester (705962-15-8) → (2S,3R)-4-Oxo-1-[4-(3-phenethylcarbamoyl-propionyl)-piperazine-1-carbonyl]-3-piperidin-4-ylmethyl-azetidine-2-carboxylic acid

Guidance literature:

Multistep reaction;

DOI:10.1016/j.bmcl.2004.02.012

Downstream raw materials:

N-phenethylsuccinimide

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