2-Amino-3-phenylpropanenitrile hydrochloride

Base Information

• Chemical Name: 2-Amino-3-phenylpropanenitrile hydrochloride
• CAS No.: 93554-83-7
• Molecular Formula: C9H11ClN2
• Molecular Weight: 182.653
• Hs Code.: 2926909090
• UNII: LHV3D4G546
• Mol file: 93554-83-7.mol

Synonyms:2-amino-3-phenylpropanenitrile hydrochloride;93554-83-7;2-Amino-3-phenylpropanenitrile, HCl;LHV3D4G546;2-Amino-3-phenylpropanenitrile hydrochloride salt;2-Amino-3-phenylpropanenitrile HCl;UNII-LHV3D4G546;SCHEMBL2680168;ZMLFFOLHKSAFBV-UHFFFAOYSA-N;AMY32617;MFCD00082676;AKOS015958809;BS-33237;2-amino-3-phenylpropanenitrilehydrochloride;2-Amino-3-phenylpropionitrile hydrochloride;2-amino-3-phenylpropanenitrile;hydrochloride;2-amino-3-phenylpropiononitrile hydrochloride;EN300-33430;VU0493840-1;G39025;Hydrocinnamonitrile, alpha-amino-, hydrochloride;(R/S)-2-amino-3-phenylpropanenitrile hydrochloride;Benzenepropanenitrile, alpha-amino-, monohydrochloride;F9995-1744;Benzenepropanenitrile, alpha-amino-, hydrochloride (1:1);HYDROCINNAMONITRILE, .ALPHA.-AMINO-, HYDROCHLORIDE;BENZENEPROPANENITRILE, .ALPHA.-AMINO-, MONOHYDROCHLORIDE;BENZENEPROPANENITRILE, .ALPHA.-AMINO-, HYDROCHLORIDE (1:1)

Chemical Property of 2-Amino-3-phenylpropanenitrile hydrochloride

Chemical Property:

• Vapor Pressure: 0.00284mmHg at 25°C
• Boiling Point: 285.2 °C at 760 mmHg
• Flash Point: 126.3 °C
• PSA: 49.81000
• LogP: 2.58228
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 182.0610761
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

98% ^*data from raw suppliers

2-Amino-3-phenylpropanenitrile, HCl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(C#N)N.Cl

Technology Process of 2-Amino-3-phenylpropanenitrile hydrochloride

There total 6 articles about 2-Amino-3-phenylpropanenitrile 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: 80.0%

sodium cyanide (143-33-9,25596-52-5) + phenylacetaldehyde (122-78-1) → α-aminophenylpropiononitrile hydrochloride (93554-83-7)

Guidance literature:

sodium cyanide; With ammonia; In water; at 25 ℃; for 0.5h; under 1125.11 Torr;

phenylacetaldehyde; With acetic acid; In water; at 35 ℃; for 4.75h;

With hydrogenchloride; In 1,4-dioxane; diethyl ether;

Reference yield: 60.0%

sodium cyanide (773837-37-9) + phenylacetaldehyde (122-78-1) → α-aminophenylpropiononitrile hydrochloride (93554-83-7)

Guidance literature:

phenylacetaldehyde; With sodium hydrogensulfite; In tetrahydrofuran; water; for 0.333333h;

With ammonium hydroxide; In tetrahydrofuran; water; at 60 ℃; for 1h;

sodium cyanide; In tetrahydrofuran; water; at 0 - 30 ℃; for 2h;

Reference yield: 54.0%

potassium cyanide (151-50-8) + phenylacetaldehyde (122-78-1) → α-aminophenylpropiononitrile hydrochloride (93554-83-7)

Guidance literature:

With ammonium chloride; In 1,4-dioxane; water; for 48h; Ambient temperature;

DOI:10.1021/jo00078a038

upstream raw materials:

potassium cyanide

phenylacetaldehyde

α-<(trimethylsilyl)oxy>benzenepropanenitrile

sodium cyanide

Downstream raw materials:

2-Amino-3-benzyl-5-methylpyrazine 1-oxide

α-benzyl-α-((carbobenzyloxy)glycylamino)acetonitrile

α-benzyl-α-(acetylamino)acetonitrile

2-amino-3-benzyl-5-phenylpyrazine 1-oxide

Refernces

• 1、 -. "Process for the preparation of enantiomerically enriched compounds". Page/Page column 4. . Retrieved 2010/11/29.
• 2、 Mai,Patil. "Facile synthesis of α-aminonitriles". . p. 4583 - 4586. Retrieved 2007/10/02.