2-Amino-2-ethylbutanenitrile

Base Information

• Chemical Name: 2-Amino-2-ethylbutanenitrile
• CAS No.: 22374-51-2
• Molecular Formula: C6H12N2
• Molecular Weight: 112.175
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID301308907
• Mol file: 22374-51-2.mol

Synonyms:2-amino-2-ethylbutanenitrile;22374-51-2;2-Ethyl-2-aminobutyronitril;2-amino-2-ethyl-butyronitrile;SCHEMBL2966956;DTXSID301308907;XAA37451;MFCD09730785;AKOS000141898;BS-12099;CS-0449756;EN300-58197;AB00999781-01

Chemical Property of 2-Amino-2-ethylbutanenitrile

Chemical Property:

• PSA: 49.81000
• LogP: 1.72778
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 112.100048391
• Heavy Atom Count: 8
• Complexity: 105

Purity/Quality:

99% ^*data from raw suppliers

2-amino-2-ethylbutanenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(CC)(C#N)N

Technology Process of 2-Amino-2-ethylbutanenitrile

There total 7 articles about 2-Amino-2-ethylbutanenitrile 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: 89.0%

sodium cyanide (143-33-9,25596-52-5) + pentan-3-one (96-22-0) → 1-amino-1-ethylpropyl cyanide (22374-51-2)

Guidance literature:

With ammonia; ammonium chloride; In water; at 20 ℃; for 72h;

Reference yield: 57.0%

2-ethyl-2-hydroxybutanenitrile (34451-66-6) → 1-amino-1-ethylpropyl cyanide (22374-51-2)

Guidance literature:

With titanium(IV) isopropylate; ammonia; benzoic acid; In methanol; tert-butyl methyl ether; for 18h; Heating;

DOI:10.1021/acs.orglett.9b03194

Reference yield:

pentan-3-one (96-22-0) → 1-amino-1-ethylpropyl cyanide (22374-51-2)

Guidance literature:

With ammonium chloride; In ammonium hydroxide;

upstream raw materials:

ammonium cyanide

pentan-3-one

sodium cyanide

potassium cyanide

Downstream raw materials:

4-amino-5,5-diethyl-3-phenyl-1H-pyrrol-2(5H)-one

C₁₄H₁₈N₂O

C₂₃H₂₁Cl₃N₄O

2,2-diethyl-malononitrile