4-(benzylcarbamoyl)butanoic Acid

Base Information

• Chemical Name: 4-(benzylcarbamoyl)butanoic Acid
• CAS No.: 42856-45-1
• Molecular Formula: C12H15NO3
• Molecular Weight: 221.256
• European Community (EC) Number: 668-527-4
• DSSTox Substance ID: DTXSID60394093
• Nikkaji Number: J1.927.628G
• Wikidata: Q82193286
• ChEMBL ID: CHEMBL152852
• Mol file: 42856-45-1.mol

Synonyms:4-(benzylcarbamoyl)butanoic Acid;42856-45-1;5-(benzylamino)-5-oxopentanoic acid;4-Benzylcarbamoyl-butyric acid;CHEMBL152852;N-BENZYLGLUTARAMIC ACID;SCHEMBL9208372;DTXSID60394093;QJKFETKWAWVFBY-UHFFFAOYSA-N;5-(benzylamino)-5-oxopentanoicacid;BBL036015;BDBM50136872;MFCD00029858;STK064786;AKOS002682132;SB80459;NS-02686;5-oxo-5-(phenylmethylamino)pentanoic acid;CS-0232707;EN300-128230;Z90310984

Chemical Property of 4-(benzylcarbamoyl)butanoic Acid

Chemical Property:

• XLogP3: 1
• 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:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNC(=O)CCCC(=O)O

Technology Process of 4-(benzylcarbamoyl)butanoic Acid

There total 5 articles about 4-(benzylcarbamoyl)butanoic 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: 96.0%

glutaric anhydride, (108-55-4) + benzylamine (100-46-9) → 5-oxo-5-[(phenylmethyl)amino]pentanoic acid (42856-45-1)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 - 75 ℃; for 24h; Inert atmosphere;

DOI:10.1039/c2cc36807b

Reference yield: 75.0%

glutaric anhydride, (108-55-4) + (E)-N-benzylidenebenzylamine (27845-50-7) → 5-oxo-5-[(phenylmethyl)amino]pentanoic acid (42856-45-1)

Guidance literature:

In dichloromethane; at 20 ℃; for 0.25h;

DOI:10.1016/j.tet.2006.06.054

Reference yield:

1-(2-chloroethyl)-3-benzyl-3-(4-carboxybutanoyl)triazene → 5-oxo-5-[(phenylmethyl)amino]pentanoic acid (42856-45-1) + 2-chloro-ethanol (107-07-3)

Guidance literature:

With phosphate buffer; sodium chloride; at 70 ℃; pH=7.0; Kinetics;

DOI:10.1021/tx950155y

upstream raw materials:

1,5-pentanedioic acid

benzylamine

glutaric anhydride,

(E)-N-benzylidenebenzylamine

Downstream raw materials:

1-benzylpiperidine-2,6-dione

benzylamine

1-benzyl-3-((2-oxopyridin-1-yl)methyl)piperidine-2,6-dione

(R)-1-benzyl-3-((2-oxopyridin-1(2H)-yl)methyl)piperidine-2,6-dione

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