3,3'-Iminodipropionitrile

Base Information

• Chemical Name: 3,3'-Iminodipropionitrile
• CAS No.: 111-94-4
• Molecular Formula: C6H9 N3
• Molecular Weight: 123.158
• Hs Code.: 2926909090
• European Community (EC) Number: 270-194-1,203-922-3
• NSC Number: 7770
• UN Number: 3334
• UNII: 3XP1CVU865
• DSSTox Substance ID: DTXSID2041464
• Nikkaji Number: J22.120A
• Wikipedia: IDPN_(chemical)
• Wikidata: Q26841287
• Mol file: 111-94-4.mol

Synonyms:3,3'-iminobispropanenitrile;3,3'-iminodipropionitrile;3,3'-iminodipropionitrile fumarate;3,3'-iminodipropionitrile monohydrochloride;3,3'-iminodipropionitrile sulfate (1:1);beta,beta'-iminodipropionitrile;bis(2-cyanoethyl)amine;bis(beta-cyanoethyl)amine;bis-(2-cyanoethyl)amine;crotonitrile;NSC-7770

Chemical Property of 3,3'-Iminodipropionitrile

Chemical Property:

• Appearance/Colour: clear colorless to yellow liquid
• Melting Point: -6 °C
• Boiling Point: 205 °C25 mm Hg(lit.)
• Flash Point: >230 °F
• PSA: 59.61000
• Density: 1.02 g/mL at 25 °C(lit.)
• LogP: 0.79426
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 123.079647300
• Heavy Atom Count: 9
• Complexity: 126
• Transport DOT Label: Class 9

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitriles
• Canonical SMILES: C(CNCCC#N)C#N

Technology Process of 3,3'-Iminodipropionitrile

There total 10 articles about 3,3'-Iminodipropionitrile 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: 99.0%

acrylonitrile (107-13-1,25014-41-9) → 3,3'-Iminodipropionitrile (111-94-4)

Guidance literature:

With ammonium hydroxide; In water; at 70 - 75 ℃; for 3h;

Reference yield: 47.0%

acrylonitrile (107-13-1,25014-41-9) → 2-cyanoethylamine (151-18-8,60585-38-8) + 3,3'-Iminodipropionitrile (111-94-4)

Guidance literature:

With ammonium hydroxide; at 20 ℃; for 0.5h;

DOI:10.1023/B:COHC.0000010646.77507.bb

Reference yield:

3-Chloropropionitrile (542-76-7) + ammonia (7664-41-7) + water (7732-18-5) → 3,3'-Iminodipropionitrile (111-94-4) + ammonium chloride + acrylonitrile (107-13-1,25014-41-9)

Guidance literature:

DOI:10.1021/jo01357a615

upstream raw materials:

3-Chloropropionitrile

2-cyanoethylamine

acrylonitrile

ammonia

Downstream raw materials:

3-phthalimidopropionitrile

Bis(2-cyanoethyl)methylamine

3,3'-imino-di-propionic acid diethyl ester

bis(3-aminopropyl)amine

Refernces

• 1、 Suhr. "". . p. 295. Retrieved 1967.
• 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.
• 3、 Bell, Thomas W.,Anugu, Sreenivasa,Bailey, Patrick,Catalano, Vincent J.,Dey, Kaka,Drew, Michael G. B.,Duffy, Noah H.,Jin, Qi,Samala, Meinrado F.,Sodoma, Andrej,Welch, William H.,Schols, Dominique,Vermeire, Kurt. "Synthesis and structure-activity relationship studies of CD4 down-modulating cyclotriazadisulfonamide (CADA) analogues". . p. 1291 - 1312. Retrieved 2007/10/03.