2-Amino-2-(4-fluorophenyl)acetonitrile

Base Information

• Chemical Name: 2-Amino-2-(4-fluorophenyl)acetonitrile
• CAS No.: 56464-70-1
• Molecular Formula: C8H7FN2
• Molecular Weight: 150.155
• Hs Code.: 2926907090
• European Community (EC) Number: 640-329-2
• DSSTox Substance ID: DTXSID20371022
• Nikkaji Number: J3.348.501H
• Mol file: 56464-70-1.mol

Synonyms:56464-70-1;2-Amino-2-(4-fluorophenyl)acetonitrile;2-Amino-2-(4'-fluorophenyl)acetonitrile;2-Amino-2-(p-fluorophenyl)acetonitrile;alpha-Cyano-4-fluorobenzylamine;SCHEMBL2684555;Amino(4-fluorophenyl)acetonitrile;DTXSID20371022;HAEXHZOJAUQXNI-UHFFFAOYSA-N;HMS1744O20;NC(C#N)C1=CC=C(F)C=C1;MFCD00236207;AKOS000200205;AKOS016051361;alpha-Amino-4-fluorobenzeneacetonitrile;SB75745;AS-30252;CS-0268231;FT-0640391;EN300-14275;A831055;2-Amino-2-(4'-fluorophenyl)acetonitrile, AldrichCPR;Z99599728

Chemical Property of 2-Amino-2-(4-fluorophenyl)acetonitrile

Chemical Property:

• Vapor Pressure: 0.0445mmHg at 25°C
• Melting Point: 155-157 °C
• Refractive Index: 1.544
• Boiling Point: 237.6 °C at 760 mmHg
• PKA: 4.98±0.10(Predicted)
• Flash Point: 97.5 °C
• Density: 1.208 g/cm³
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 150.05932639
• Heavy Atom Count: 11
• Complexity: 164

Purity/Quality:

98% ^*data from raw suppliers

2-Amino-2-(4-fluorophenyl)acetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(C#N)N)F

Technology Process of 2-Amino-2-(4-fluorophenyl)acetonitrile

There total 7 articles about 2-Amino-2-(4-fluorophenyl)acetonitrile 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%

2-(4-fluorophenyl)-2-hydroxyacetonitrile (133721-87-6,176485-58-8) → 2-amino-2-(4-fluorophenyl)acetonitrile (56464-70-1)

Guidance literature:

With titanium(IV) isopropylate; ammonia; In methanol; at 40 ℃; for 18h;

DOI:10.1021/acs.orglett.9b03194

Reference yield: 78.0%

potassium cyanide + 4-fluorobenzaldehyde (459-57-4) → 2-amino-2-(4-fluorophenyl)acetonitrile (56464-70-1)

Guidance literature:

With ammonia; ammonium chloride; at 20 ℃; for 1.91667h;

DOI:10.1021/jo901759u

Reference yield: 70.0%

trimethylsilyl cyanide (7677-24-9) + para-fluorobenzylamine (140-75-0) → 2-amino-2-(4-fluorophenyl)acetonitrile (56464-70-1)

Guidance literature:

With tetrabutyl ammonium fluoride; oxygen; 5,10,15,20-tetraphenylporphyrin; In 2-methyltetrahydrofuran; at -50 ℃; under 5250.53 Torr; Irradiation;

DOI:10.1002/ejoc.201500300

upstream raw materials:

sodium cyanide

4-fluorobenzaldehyde

potassium cyanide

trimethylsilyl cyanide

Downstream raw materials:

(R)-2-(4-fluorophenyl)glycine

5-(4-fluorophenyl)imidazolidine-2,4-dione

(S)-2-amino-2-(4-fluorophenyl)acetic acid

N-[cyano(4-fluorophenyl)methyl]-2-(2,4-dichlorophenoxy)propanamide