2-aminobutanenitrile

Base Information

• Chemical Name: 2-aminobutanenitrile
• CAS No.: 93554-80-4
• Molecular Formula: C4H8N2
• Molecular Weight: 120.582
• European Community (EC) Number: 844-522-4,938-237-5
• UNII: QN54SFK8WH
• DSSTox Substance ID: DTXSID30537975
• NSC Number: 113504
• Mol file: 93554-80-4.mol

Synonyms:2-aminobutanenitrile hydrochloride;93554-80-4;2-aminobutanenitrile;hydrochloride;2-AMINOBUTANENITRILE HCL;QN54SFK8WH;SCHEMBL3877801;2-aminobutanenitrilehydrochloride;DTXSID30537975;MFCD11858092;NSC113504;AKOS016902291;Butyronitrile, 2-amino-, hydrochloride;NSC-113504;BS-17900;Butanenitrile, 2-amino-, monohydrochloride;CS-0197521;EN300-43508;2-Aminobutanenitrile--hydrogen chloride (1/1);Butanenitrile, 2-amino-, hydrochloride (1:1);Z445129502

Chemical Property of 2-aminobutanenitrile

Chemical Property:

• Vapor Pressure: 2.38mmHg at 25°C
• Boiling Point: 160.5°Cat760mmHg
• Flash Point: 50.9°C
• Density: 0.914g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 120.0454260
• Heavy Atom Count: 7
• Complexity: 68.9

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C#N)N.Cl

Technology Process of 2-aminobutanenitrile

There total 3 articles about 2-aminobutanenitrile 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: 81.0%

DL-2-aminobutanamide (53726-14-0) → 2-aminobutyronitrile hydrochloride (93554-80-4)

Guidance literature:

With di-morpholin-4-yl-phosphinic acid chloride; triethylamine; In dichloromethane; at 20 ℃; for 3h;

DOI:10.1016/j.tetlet.2020.152747

Reference yield:

2-<(trimethylsilyl)oxy>butanenitrile (24731-32-6) → 2-aminobutyronitrile hydrochloride (93554-80-4)

Guidance literature:

With ammonia; In methanol; at 40 ℃; for 2h; Yield given;

DOI:10.1016/S0040-4039(01)91205-5

Reference yield:

potassium cyanide + propionaldehyde (123-38-6) → 2-aminobutyronitrile hydrochloride (93554-80-4)

Guidance literature:

With ammonium hydroxide; ammonium chloride; In tetrahydrofuran; for 1.5h;

DOI:10.1002/chem.202001514

upstream raw materials:

2-<(trimethylsilyl)oxy>butanenitrile

propionaldehyde

DL-2-aminobutanamide

Downstream raw materials:

2-hydroxybutanenitrile

3-hydroxybutanenitrile

(Z)-2-butenenitrile

crotononitrile

Refernces

• 1、 Bechtel, Maximilian,Closs, Anna C.,Fuks, Elina,Trapp, Oliver. "Prebiotically Plausible Organocatalysts Enabling a Selective Photoredox α-Alkylation of Aldehydes on the Early Earth". supporting information. . Retrieved 2020/08/17.