2-Ethyl-3-methylhexanamide

Base Information

• Chemical Name: 2-Ethyl-3-methylhexanamide
• CAS No.: 74581-93-4
• Molecular Formula: C9H19 N O
• Molecular Weight: 157.256
• NSC Number: 25515
• DSSTox Substance ID: DTXSID80282347
• Mol file: 74581-93-4.mol

Synonyms:74581-93-4;2-ethyl-3-methylhexanamide;NSC25515;SCHEMBL277889;DTXSID80282347;NSC-25515

Chemical Property of 2-Ethyl-3-methylhexanamide

Chemical Property:

• Vapor Pressure: 0.00217mmHg at 25°C
• Boiling Point: 289.6°C at 760 mmHg
• Flash Point: 129°C
• PSA: 43.09000
• Density: 0.88g/cm³
• LogP: 2.63440
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 157.146664230
• Heavy Atom Count: 11
• Complexity: 123

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C)C(CC)C(=O)N

Technology Process of 2-Ethyl-3-methylhexanamide

There total 4 articles about 2-Ethyl-3-methylhexanamide 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:

pentobarbital (76-74-4) → 5-ethyl barbituric acid (2518-72-1) + 2-ethyl-3-methylhexanoic acid amide (74581-93-4) + N-(aminocarbonyl)-2-ethyl-3-methylhexanamide (58850-94-5)

Guidance literature:

With sodium hydroxide; sodium hydrogencarbonate; In water; Irradiation;

Reference yield:

pentobarbital (76-74-4) → 5-ethyl barbituric acid (2518-72-1) + 5-ethyl-5-hydroxybarbituric acid (702-45-4) + 2-ethyl-3-methylhexanoic acid amide (74581-93-4) + 2-hydroxy-2-ethylmalonic acid (26735-70-6) + N-(aminocarbonyl)-2-ethyl-3-methylhexanamide (58850-94-5) + 5,5'-diethylhydurilic acid (74595-22-5)

Guidance literature:

With buffer of pH = 11; Mechanism; Product distribution; Irradiation; products identified by TLC;

Reference yield:

pentobarbital (76-74-4) → 2-ethyl-3-methylhexanoic acid (74581-94-5) + 2-ethyl-3-methylhexanoic acid amide (74581-93-4) + 2-ethyl-2-(1-methylbutyl)propanediamide (74581-91-2) + N-(aminocarbonyl)-2-ethyl-3-methylhexanamide (58850-94-5) + Ethyl(1-methylbutyl)malonuric Acid (106686-60-6)

Guidance literature:

With sodium hydroxide; water; at 80 ℃; for 960h; Mechanism; Product distribution;

upstream raw materials:

pentobarbital

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