2-Amino-4-methylpentanenitrile hydrochloride

Base Information

• Chemical Name: 2-Amino-4-methylpentanenitrile hydrochloride
• CAS No.: 72177-82-3
• Molecular Formula: C₆H₁₂N₂*ClH
• Molecular Weight: 148.636
• Hs Code.: 2926909090
• European Community (EC) Number: 862-692-8
• Mol file: 72177-82-3.mol

Synonyms:2-amino-4-methylpentanenitrile hydrochloride;72177-82-3;2-amino-4-methylpentanenitrile;hydrochloride;PENTANENITRILE, 2-AMINO-4-METHYL-, MONOHYDROCHLORIDE;2-Amino-4-methylpentanenitrileHydrochloride;SCHEMBL5563035;AEYTXGCLZAJPCX-UHFFFAOYSA-N;2-Amino-4-methylpentanenitrile HCl;XCA17782;AC6684;MFCD11858127;AKOS008096845;AS-81298;SY021415;CS-0226488;EN300-43747;Z449369050

Chemical Property of 2-Amino-4-methylpentanenitrile hydrochloride

Chemical Property:

• PSA: 49.81000
• LogP: 2.38568
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 148.0767261
• Heavy Atom Count: 9
• Complexity: 98.3

Purity/Quality:

97% ^*data from raw suppliers

2-amino-4-methylpentanenitrilehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CC(C#N)N.Cl

Technology Process of 2-Amino-4-methylpentanenitrile hydrochloride

There total 3 articles about 2-Amino-4-methylpentanenitrile hydrochloride 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:

4-methyl-2-((trimethylsilyl)oxy)pentanenitrile (81758-24-9) → α-isobutyl-α-aminoacetonitrile hydrochloride (72177-82-3)

Guidance literature:

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

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

Reference yield:

potassium cyanide (151-50-8) + isovaleraldehyde (590-86-3) → α-isobutyl-α-aminoacetonitrile hydrochloride (72177-82-3)

Guidance literature:

With hydrogenchloride; ammonium chloride; Yield given. Multistep reaction; 1.) ammonium hydroxide, THF, 1.5 h (in a stoppered flask), 2.) ethyl ether;

Reference yield:

isovaleraldehyde (590-86-3) → α-isobutyl-α-aminoacetonitrile hydrochloride (72177-82-3)

Guidance literature:

Multi-step reaction with 2 steps

1: zinc iodide / neat (no solvent) / 0.25 h

2: ammonia / methanol / 2 h / 40 °C

With ammonia; zinc(II) iodide; In methanol;

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

upstream raw materials:

4-methyl-2-((trimethylsilyl)oxy)pentanenitrile

potassium cyanide

isovaleraldehyde

Downstream raw materials:

N-(N-Acetyl-DL-leucyl)-aminoacetonitril

(RS)-leucinonitrile

N-benzoyl-thioleucine amide

2-(1-benzoylamino-3-methyl-butyl)-thiazole-4-carboxylic acid methyl ester