Valeramide, N-(2-hydroxyethyl)-2-propyl-

Base Information

• Chemical Name: Valeramide, N-(2-hydroxyethyl)-2-propyl-
• CAS No.: 3116-29-8
• Molecular Formula: C10H21 N O2
• Molecular Weight: 187.2792
• DSSTox Substance ID: DTXSID80185086
• Nikkaji Number: J819.585D
• Wikidata: Q83056039
• Mol file: 3116-29-8.mol

Synonyms:Valeramide, N-(2-hydroxyethyl)-2-propyl-;3116-29-8;N-(2-Hydroxyethyl)-2-propylvaleramide;N-(2-hydroxyethyl)-2-propylpentanamide;DTXSID80185086

Chemical Property of Valeramide, N-(2-hydroxyethyl)-2-propyl-

Chemical Property:

• Vapor Pressure: 2.25E-06mmHg at 25°C
• Boiling Point: 352.4°Cat760mmHg
• Flash Point: 166.9°C
• Density: 0.948g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 187.157228913
• Heavy Atom Count: 13
• Complexity: 131

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(CCC)C(=O)NCCO

Technology Process of Valeramide, N-(2-hydroxyethyl)-2-propyl-

There total 3 articles about Valeramide, N-(2-hydroxyethyl)-2-propyl- 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%

N-(2-((tert-butyldimethylsilyl)oxy)ethyl)-2-propylpentanamide → N-(2-hydroxyethyl)-2-propylpentanamide (3116-29-8)

Guidance literature:

With tetrabutyl ammonium fluoride; In dichloromethane; for 24h;

DOI:10.1021/acsmedchemlett.0c00375

Reference yield: 60.0%

valproyl chloride (2936-08-5) + ethanolamine (141-43-5) → N-(2-hydroxyethyl)-2-propylpentanamide (3116-29-8)

Guidance literature:

In dichloromethane; at 0 ℃; for 0.5h;

DOI:10.1023/A:1012009012850

Reference yield:

valproic acid (99-66-1) → N-(2-hydroxyethyl)-2-propylpentanamide (3116-29-8)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂

2: benzene

With thionyl chloride; In benzene;

upstream raw materials:

valproyl chloride

ethanolamine

valproic acid

Refernces

• 1、 Bian, Haiyong,Feng, Jinhong,Xu, Wenfang. "Synthesis and biological evaluation of novel AM80 derivatives as antileukemic agents". . p. 175 - 185. Retrieved 2013/03/13.