N,N-Bis(2-hydroxyethyl)hexanamide

Base Information

• Chemical Name: N,N-Bis(2-hydroxyethyl)hexanamide
• CAS No.: 29752-80-5
• Molecular Formula: C10H21 N O3
• Molecular Weight: 203.282
• Hs Code.: 2924199090
• European Community (EC) Number: 249-823-9,270-412-5
• DSSTox Substance ID: DTXSID5067506,DTXSID301022430
• Nikkaji Number: J286.953E
• Wikidata: Q81994111
• Mol file: 29752-80-5.mol

Synonyms:N,N-Bis(2-hydroxyethyl)hexanamide;Caproic diethanolamide;29752-80-5;Hexanamide, N,N-bis(2-hydroxyethyl)-;Hexanoic acid, diethanolamide;EINECS 249-823-9;68439-61-2;SCHEMBL3378516;DTXSID5067506;DTXSID301022430;EINECS 270-412-5;AKOS010483288;CapronsA currencyurediA currencythanolamid;SDA 13-024-00

Chemical Property of N,N-Bis(2-hydroxyethyl)hexanamide

Chemical Property:

• Vapor Pressure: 7.19E-07mmHg at 25°C
• Boiling Point: 366.8°Cat760mmHg
• Flash Point: 175.6°C
• PSA: 60.77000
• Density: 1.053g/cm³
• LogP: 0.37990
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 203.15214353
• Heavy Atom Count: 14
• Complexity: 144

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)N(CCO)CCO

Technology Process of N,N-Bis(2-hydroxyethyl)hexanamide

There total 4 articles about N,N-Bis(2-hydroxyethyl)hexanamide 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: 99.8%

2,2'-iminobis[ethanol] (111-42-2) + hexanoic acid (142-62-1) → hexanoyl diethanolamide (29752-80-5)

Guidance literature:

With Candida antarctica lipase; zinc(II) chloride; In acetonitrile; at 50 ℃; for 24h;

DOI:10.1021/jf0107858

Reference yield: 72.3%

n-hexanoic anhydride (2051-49-2) + 2,2'-iminobis[ethanol] (111-42-2) → hexanoyl diethanolamide (29752-80-5)

Guidance literature:

With Candida antarctica lipase; In acetonitrile; at 50 ℃; for 24h;

DOI:10.1021/jf0107858

Reference yield: 58.0%

methyl hexanoate (106-70-7) + 2,2'-iminobis[ethanol] (111-42-2) → hexanoyl diethanolamide (29752-80-5)

Guidance literature:

With Candida antarctica lipase; In acetonitrile; at 50 ℃; for 24h;

DOI:10.1021/jf0107858

upstream raw materials:

methyl hexanoate

2,2'-iminobis[ethanol]

n-hexanoic anhydride

hexanoic acid, 1,2,3-propanetriyl ester

Downstream raw materials:

2,2'-iminobis[ethanol]

hexanoic acid

Refernces

• 1、 Liu,Nag,Shaw. "Lipase-catalyzed synthesis of fatty acid diethanolamides.". . p. 5761 - 5764. Retrieved 2007/10/03.