Valrocemide

Base Information

• Chemical Name: Valrocemide
• CAS No.: 92262-58-3
• Molecular Formula: C₁₀H₂₀N₂O₂
• Molecular Weight: 200.281
• Hs Code.: 2924199090
• European Community (EC) Number: 618-831-8
• UNII: 1C7GO6OW7L
• DSSTox Substance ID: DTXSID70238939
• Nikkaji Number: J658.572H
• Wikidata: Q27252221
• NCI Thesaurus Code: C87610
• Metabolomics Workbench ID: 149885
• ChEMBL ID: CHEMBL471638
• Mol file: 92262-58-3.mol

Synonyms:N-valproyl glycinamide;N-valproylglycinamide;TV 1901;TV-1901;Valrocemide;VPGD cpd

Chemical Property of Valrocemide

Chemical Property:

• Vapor Pressure: 3.52E-07mmHg at 25°C
• Boiling Point: 417.5°C at 760 mmHg
• Flash Point: 206.3°C
• PSA: 72.19000
• Density: 0.997
• LogP: 1.89550
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 200.152477885
• Heavy Atom Count: 14
• Complexity: 187

Purity/Quality:

99% ^*data from raw suppliers

Valrocemide(TV1901,VGD)) >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(CCC)C(=O)NCC(=O)N

Technology Process of Valrocemide

There total 2 articles about Valrocemide 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:

valproyl chloride (2936-08-5) + H-Gly-NH2 (598-41-4) → N-(2-n-propylpentanoyl)-glycinamide (92262-58-3)

Guidance literature:

With sodium hydroxide;

DOI:10.1023/A:1016277507865

Reference yield:

→ N-(2-n-propylpentanoyl)-glycinamide (92262-58-3)

Guidance literature:

Reference yield:

(E)-2-ene-valproyl chloride + glycinamide hydrochloride (1668-10-6) + triethylamine (121-44-8) + N-(2-n-propylpentanoyl)-glycinamide (92262-58-3) → N-(2-n-propylpent-2-enoyl)-glycinamide (92262-61-8)

Guidance literature:

In water; toluene;

upstream raw materials:

valproyl chloride

H-Gly-NH₂

Downstream raw materials:

N-(2-n-propylpent-2-enoyl)-glycinamide

Refernces

• 1、 Hadad,Bialer. "Pharmacokinetic analysis and antiepileptic activity of N-valproyl derivatives of GABA and glycine". . p. 905 - 910. Retrieved 2007/10/03.