Betamipron

Base Information

• Chemical Name: Betamipron
• CAS No.: 3440-28-6
• Molecular Formula: C10H11 N O3
• Molecular Weight: 193.202
• Hs Code.: 2924297099
• NSC Number: 758708,192714
• UNII: 3W0M245736
• DSSTox Substance ID: DTXSID0045626
• Nikkaji Number: J208.000A
• Wikipedia: Betamipron
• Wikidata: Q4897351
• NCI Thesaurus Code: C72565
• Metabolomics Workbench ID: 46448
• ChEMBL ID: CHEMBL1231530
• Mol file: 3440-28-6.mol

Synonyms:betamipron;N-benzoyl-beta-alanine;N-benzoyl-D-alanine;N-benzoylalanine;N-benzoylalanine monosodium salt, (L-Ala)-isomer;N-benzoylalanine, (beta-Ala)-isomer;N-benzoylalanine, (D-Ala)-isomer;N-benzoylalanine, (DL-Ala)-isomer

Chemical Property of Betamipron

Chemical Property:

• Vapor Pressure: 1.32E-09mmHg at 25°C
• Melting Point: 132 °C
• Boiling Point: 469.2 °C at 760 mmHg
• PKA: 4.32±0.10(Predicted)
• Flash Point: 237.6 °C
• PSA: 66.40000
• Density: 1.227 g/cm³
• LogP: 1.28200
• Storage Temp.: −20°C
• Solubility.: almost transparency in Methanol
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 193.07389321
• Heavy Atom Count: 14
• Complexity: 209

Purity/Quality:

99% ^*data from raw suppliers

Benzoyl-beta-alanine >98.0%(HPLC)(T) ^*data from reagent 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)C(=O)NCCC(=O)O
• Uses: antibacterial, renal protectant, sweetener

Technology Process of Betamipron

There total 18 articles about Betamipron 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: 88.5%

1-benzoyldeoxyvasicinone chloride + 3-amino propanoic acid (107-95-9) → N-benzoyl-beta-alanine (3440-28-6)

Guidance literature:

In benzene;

DOI:10.1007/s10600-006-0261-9

Reference yield: 80.0%

N-benzoylaspartic acid (17966-68-6) → N-benzoyl-beta-alanine (3440-28-6)

Guidance literature:

In acetone; for 3h; Ambient temperature; Irradiation;

DOI:10.1055/s-1982-29719

Reference yield: 72.5%

benzoyl chloride (98-88-4) + 3-amino propanoic acid (107-95-9) → N-benzoyl-beta-alanine (3440-28-6)

Guidance literature:

With sodium hydroxide; for 6h;

DOI:10.1016/S0022-328X(01)01291-8

upstream raw materials:

3-(Benzoylamino)propansaeureamid

benzoyl chloride

3-amino propanoic acid

N-<2-Carboxy-ethyl>-α-phenyl-nitron

Downstream raw materials:

N-benzoyl-β-alanine trimethylsilanyl ester

1-(N-benzoyl-β-alanyloxy)adamantan-4-one

1-benzoylpiperidine-2,4-dione

3-(2-((1S,3S)-adamantan-1-yl)-1-hydroxyethylidene)-1-benzoylpiperidine-2,4-dione

Refernces

• 1、 Jeong, Yong-Chul,Bikadi, Zsolt,Hazai, Eszter,Moloney, Mark G.. "A detailed study of antibacterial 3-acyltetramic acids and 3-acylpiperidine-2,4-diones". supporting information. p. 1826 - 1837. Retrieved 2014/08/18.
• 2、 Shakhidoyatov,Genjemuratova,Oripov. "1-Acyldeoxyvasicinone salts as effective intermediate C- and N-acylating agents for alkaloids and amino acids". . p. 718 - 723. Retrieved 2008/02/08.