Beclamide

Base Information

• Chemical Name: Beclamide
• CAS No.: 501-68-8
• Molecular Formula: C10H12 Cl N O
• Molecular Weight: 197.664
• Hs Code.: 2924299090
• European Community (EC) Number: 207-927-1
• NSC Number: 759264,67062
• UNII: F5N0ALI65V
• DSSTox Substance ID: DTXSID5057755
• Nikkaji Number: J6.194H
• Wikipedia: Beclamide
• Wikidata: Q3637399
• NCI Thesaurus Code: C75160
• Metabolomics Workbench ID: 152084
• ChEMBL ID: CHEMBL64195
• Mol file: 501-68-8.mol

Synonyms:beclamide;chloracon;nydrane;Posedrine

Chemical Property of Beclamide

Chemical Property:

• Vapor Pressure: 3.42E-06mmHg at 25°C
• Melting Point: 94°
• Refractive Index: 1.5330 (estimate)
• Boiling Point: 386.9°Cat760mmHg
• PKA: 15.55±0.46(Predicted)
• Flash Point: 187.8°C
• PSA: 29.10000
• Density: 1.145g/cm³
• LogP: 2.32260
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 197.0607417
• Heavy Atom Count: 13
• Complexity: 155

Purity/Quality:

98%min ^*data from raw suppliers

Beclamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNC(=O)CCCl
• Uses: Beclamide is a chlorinated benzylpropanamide used as an anticonvulsant drug. It is used in the treatment of tonic-clonic seizyres and has sedative properties. anticonvulsant, antiepileptic
• Therapeutic Function: Anticonvulsant

Technology Process of Beclamide

There total 6 articles about Beclamide 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: 89.0%

2-chloropropionyl chloride (625-36-5) + benzylamine (100-46-9) → chloropropionic acid (107-94-8) + N-benzylacrylamide (13304-62-6) + Beclamide (501-68-8)

Guidance literature:

In N,N-dimethyl-formamide; at 100 ℃; for 0.0833333h; Temperature; Concentration;

DOI:10.1002/chem.201802208

Reference yield: 78.0%

2-chloropropionyl chloride (625-36-5) + benzylamine (100-46-9) → chloropropionic acid (107-94-8) + Beclamide (501-68-8)

Guidance literature:

In N,N-dimethyl-formamide; at 50 ℃; for 0.0166667h; Time;

DOI:10.1002/chem.201802208

Reference yield: 70.0%

2-chloropropionyl chloride (625-36-5) + benzylamine (100-46-9) → Beclamide (501-68-8)

Guidance literature:

With triethylamine; In dichloromethane;

DOI:10.1021/op060225f

upstream raw materials:

2-chloropropionyl chloride

benzylamine

chloropropionic acid

acrylic acid

Downstream raw materials:

N,N-diethyl-β-alanine benzylamide

N-Benzyl-3-carbamimidoylsulfanyl-propionamide

C₁₃H₁₅N₃O

C₁₂H₁₄N₄O

Refernces

• 1、 Wang, Wen-Ya,Shen, Cheng-Wu,Weng, Zhi-Jie,Wang, Tie-Chuang,Zhang, Chuang,Jin, Xun-Qi,Li, Jian-Qi. "Design, synthesis and biological evaluation of novel dicarbonylalkyl piperazine derivatives as neuroprotective agents". supporting information. p. 387 - 390. Retrieved 2016/03/16.
• 2、 Lee, Mi-Jee,Jang, Ji-Sung,Ahn, Chuljin. "The efficient preparation of α, β, γ-lactam derivatives". . p. 855 - 858. Retrieved 2014/02/14.