2-PHENYLGLYCINONITRILE HYDROCHLORIDE

Base Information

• Chemical Name: 2-PHENYLGLYCINONITRILE HYDROCHLORIDE
• CAS No.: 53641-60-4
• Molecular Formula: C8H8 N2 . Cl H
• Molecular Weight: 168.626
• Hs Code.: 2926909090
• European Community (EC) Number: 258-680-1,624-363-5
• DSSTox Substance ID: DTXSID20968411
• Mol file: 53641-60-4.mol

Synonyms:Benzeneacetonitrile,a-amino-, monohydrochloride (9CI);Glycinonitrile, 2-phenyl-, monohydrochloride (6CI); 1-Phenylglycinonitrilehydrochloride; 2-Amino-2-phenylacetonitrile hydrochloride;2-Amino-2-phenylethanenitrile hydrochloride; [(Cyano)(phenyl)methyl]aminehydrochloride; a-Aminophenylacetonitrilehydrochloride

Chemical Property of 2-PHENYLGLYCINONITRILE HYDROCHLORIDE

Chemical Property:

• Vapor Pressure: 0.0491mmHg at 25°C
• Melting Point: 164-165 °C (dec.)(lit.)
• Boiling Point: 235.8°Cat760mmHg
• Flash Point: 96.4°C
• PSA: 49.81000
• Density: g/cm³
• LogP: 2.71228
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 168.0454260
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

97% ^*data from raw suppliers

2-Phenylglycinonitrile hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/38-36/37/38-20/21/22
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2-PHENYLGLYCINONITRILE HYDROCHLORIDE

There total 4 articles about 2-PHENYLGLYCINONITRILE 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:

2-amino-2-phenylacetonitrile (16750-42-8,41804-94-8) → 2-phenylglycinonitrile hydrochloride (53641-60-4,53941-45-0)

Guidance literature:

With hydrogenchloride; In diethyl ether; at 20 ℃; for 0.25h; Inert atmosphere;

DOI:10.1039/c6cc04308a

Reference yield:

benzaldehyde (100-52-7) → 2-phenylglycinonitrile hydrochloride (53641-60-4,53941-45-0)

Guidance literature:

Multi-step reaction with 2 steps

1: ammonium acetate; ammonium hydroxide / water; ethanol / 5 h / 25 °C / Inert atmosphere

2: hydrogenchloride / diethyl ether / 0.25 h / 20 °C / Inert atmosphere

With hydrogenchloride; ammonium hydroxide; ammonium acetate; In diethyl ether; ethanol; water;

DOI:10.1039/c6cc04308a

Reference yield:

potassium cyanide (151-50-8) + benzaldehyde (100-52-7) → 2-phenylglycinonitrile hydrochloride (53641-60-4,53941-45-0)

Guidance literature:

With hydrogenchloride; ammonium chloride; Yield given. Multistep reaction; 1.) ammonium hydroxide, THF, 7 h (in a stoppered flask), 2.) ethyl ether;

upstream raw materials:

potassium cyanide

benzaldehyde

2-amino-2-phenylacetonitrile

Downstream raw materials:

3-phenyl-1,4-diaza-spiro[4.5]decane-2-thione

2-diazo-2-phenylacetonitrile

phenylglycin

Phenylglycinamid

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