N-(2-Cyanoethyl)diethylamine

Base Information

• Chemical Name: N-(2-Cyanoethyl)diethylamine
• CAS No.: 5351-04-2
• Molecular Formula: C7H14 N2
• Molecular Weight: 126.202
• Hs Code.: 2926909090
• European Community (EC) Number: 226-323-9
• NSC Number: 56550,95
• UNII: AZT87H1OVI
• DSSTox Substance ID: DTXSID1063807
• Nikkaji Number: J134.529J
• Wikidata: Q81991020
• Mol file: 5351-04-2.mol

Synonyms:N-(2-Cyanoethyl)diethylamine;3-(Diethylamino)propanenitrile;5351-04-2;3-(Diethylamino)propionitrile;Propanenitrile, 3-(diethylamino)-;Propionitrile, 3-(diethylamino)-;3-Diethylaminopropiononitrile;AZT87H1OVI;3-diethylaminopropionitrile;3-(diethylamino)-propionitrile;NSC-95;NSC-56550;NSC 95;UNII-AZT87H1OVI;IPKHAN 110;NSC95;SCHEMBL64558;DTXSID1063807;3-(DIETHYLAMINO)propaNITRILE;N,N-DIETHYLAMINOPROPIONITRILE;NSC56550;EINECS 226-323-9;MFCD00013820;NSC 56550;AKOS000119757;3-(diethylamino)propionitrile, AldrichCPR;AI3-13185;CS-0235841;FT-0613753;EN300-16260;EC 226-323-9;F83152;W-110029;Z53116564

Chemical Property of N-(2-Cyanoethyl)diethylamine

Chemical Property:

• Vapor Pressure: 0.161mmHg at 25°C
• Melting Point: -64 °C
• Refractive Index: 1.4345-1.4365
• Boiling Point: 197 °C
• PKA: 9.16±0.25(Predicted)
• Flash Point: 78.1°C
• PSA: 27.03000
• Density: 0.872g/cm³
• LogP: 1.24188
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 126.115698455
• Heavy Atom Count: 9
• Complexity: 96.7

Purity/Quality:

98% ^*data from raw suppliers

N-(2-Cyanoethyl)diethylamine 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCC#N

Technology Process of N-(2-Cyanoethyl)diethylamine

There total 8 articles about N-(2-Cyanoethyl)diethylamine 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: 100.0%

diethylamine (109-89-7) + acrylonitrile (107-13-1,25014-41-9) → 3-diethylaminopropionitrile (5351-04-2)

Guidance literature:

With copper diacetate; In water; at 20 ℃; for 12h;

DOI:10.1055/s-2003-42125

Reference yield: 82.0%

triethylamine (121-44-8) + acrylonitrile (107-13-1,25014-41-9) → 3-diethylaminopropionitrile (5351-04-2)

Guidance literature:

With methanol; acetic acid; palladium dichloride; In carbon dioxide; at 70 ℃; for 48h; under 112511 Torr;

DOI:10.1002/ejoc.200700369

Reference yield: 40.0%

(Z)-3-bromo-3-hexene (16645-01-5,21971-89-1) + acrylonitrile (107-13-1,25014-41-9) → 3-diethylaminopropionitrile (5351-04-2) + (Z,Z)-4-ethyl-2,4-heptadienenitrile (76232-33-2) + (E,Z)-4-ethyl-2,4-heptadienenitrile (76232-32-1)

Guidance literature:

With triethylamine; palladium diacetate; tris-(o-tolyl)phosphine; at 125 ℃; for 96h;

DOI:10.1021/jo00319a005

upstream raw materials:

3-Chloropropionitrile

diethylamine

acrylonitrile

sodium cyanide

Downstream raw materials:

3-(4-methoxyphenylamino)propanenitrile

N-(2-cyano-ethyl)-anthranilic acid

N-(4-ethoxy-phenyl)-β-alanine nitrile

4-chloro-2-(2-cyano-ethylamino)-benzoic acid

Refernces

• 1、 Jian Fui, Choong,Lutfor Rahman, Md,Musta, Baba,Sani Sarjadi, Mohd,Sarkar, Shaheen M.,Xin Ting, Tang. "Bio-heterogeneous Cu(0)NC@PHA for n-aryl/alkylation at room temperature". . . Retrieved 2021/06/28.
• 2、 Reina, Antonio,Serrano-Maldonado, Alejandro,Teuma, Emmanuelle,Martin, Erika,Gómez, Montserrat. "Palladium nanocatalysts in glycerol: Tuning the reactivity by effect of the stabilizer". . p. 22 - 27. Retrieved 2017/10/24.