Methyl 3-(diethylamino)butanoate

Base Information

• Chemical Name: Methyl 3-(diethylamino)butanoate
• CAS No.: 33611-41-5
• Molecular Formula: C9H19 N O2
• Molecular Weight: 173.255
• Hs Code.: 2922499990
• European Community (EC) Number: 251-595-0
• DSSTox Substance ID: DTXSID00955243
• Nikkaji Number: J308.507D
• Mol file: 33611-41-5.mol

Synonyms:methyl 3-(diethylamino)butanoate;33611-41-5;Methyl 3-diethylaminobutyrate;EINECS 251-595-0;methyl3-(diethylamino)butanoate;SCHEMBL9774507;DTXSID00955243;MFCD09838565;BS-16601;3-(Diethylamino)butanoic acid methyl ester;CS-0161220;D83550;A913193

Chemical Property of Methyl 3-(diethylamino)butanoate

Chemical Property:

• Vapor Pressure: 0.198mmHg at 25°C
• Boiling Point: 209.9°Cat760mmHg
• Flash Point: 68.5°C
• PSA: 29.54000
• Density: 0.92g/cm³
• LogP: 1.27980
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 173.141578849
• Heavy Atom Count: 12
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

Methyl3-(diethylamino)butanoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C(C)CC(=O)OC

Technology Process of Methyl 3-(diethylamino)butanoate

There total 2 articles about Methyl 3-(diethylamino)butanoate 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: 95.0%

methyl crotonate (623-43-8,4358-59-2,18707-60-3,130981-57-6) + diethylamine (109-89-7) → methyl 3-diethylamino-n-butyrate (33611-41-5)

Guidance literature:

With graphene oxide; In water; at 20 ℃; for 0.116667h;

DOI:10.1039/c1cc15230k

Reference yield:

→ methyl 3-diethylamino-n-butyrate (33611-41-5)

Guidance literature:

Diethylamin, Crotonsaeuremethylester;

Reference yield:

methyl 3-diethylamino-n-butyrate (33611-41-5) → perfluoro(N,N-diethylmethylamine) (758-48-5) + heptafluoropropyl-bis-pentafluoroethyl-amine (338-81-8) + perfluoroisobutyryl fluoride (677-84-9) + 2,2,3,3-tetrafluoro-3-[1,1,2,2,2-pentafluoroethyl(trifluoromethyl)amino]propanoyl fluoride

Guidance literature:

With hydrogen fluoride; at 7 - 8 ℃; for 9.61667h; Further byproducts given; electrochemical reaction; anodic current density of 3.5 A dm^-2, a cell voltage of 6.6 V - 6.7 V;

DOI:10.1016/0022-1139(93)03019-I

upstream raw materials:

methyl crotonate

diethylamine

Downstream raw materials:

perfluoro(N,N-diethylmethylamine)

heptafluoropropyl-bis-pentafluoroethyl-amine

perfluoroisobutyryl fluoride

Perfluoro[3-(N,N-diethylamino)propionyl fluoride]

Refernces

• 1、 Azizi, Najmedin,Baghi, Roya,Ghafuri, Hossein,Bolourtchian, Mohammad,Hashemi, Mohammad. "Silicon tetrachloride catalyzed aza-michael addition of amines to conjugated alkenes under solvent-free conditions". experimental part. p. 379 - 382. Retrieved 2010/04/03.