2-Amino-5-fluorobenzonitrile

Base Information

• Chemical Name: 2-Amino-5-fluorobenzonitrile
• CAS No.: 61272-77-3
• Molecular Formula: C7H5FN2
• Molecular Weight: 136.129
• Hs Code.: 2926909090
• European Community (EC) Number: 627-384-8
• DSSTox Substance ID: DTXSID10372220
• Nikkaji Number: J2.840.225B
• Wikidata: Q72437137
• Mol file: 61272-77-3.mol

Synonyms:2-Amino-5-fluorobenzonitrile;61272-77-3;2-Cyano-4-fluoroaniline;Benzonitrile, 2-amino-5-fluoro-;MFCD02683869;5-FLUOROANTHRANILONITRILE;2-amino-5-fluorobenzenecarbonitrile;SCHEMBL168901;DTXSID10372220;VFQDFQDXMNVDPW-UHFFFAOYSA-N;2-Amino-5-fluorobenzonitrile, 97%;BBL011048;CL8145;STK802219;AKOS005063865;AC-3184;AM62045;CCG-302507;CS-W011061;PS-9110;SB75427;SY004371;A1746;FT-0601355;EN300-102377;Z1147177105

Chemical Property of 2-Amino-5-fluorobenzonitrile

Chemical Property:

• Vapor Pressure: 0.00507mmHg at 25°C
• Melting Point: 92-96 °C(lit.)
• Refractive Index: 1.56
• Boiling Point: 275.5 °C at 760 mmHg
• PKA: 1.87±0.10(Predicted)
• Flash Point: 120.4 °C
• PSA: 49.81000
• Density: 1.25 g/cm³
• LogP: 1.86078
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 136.04367633
• Heavy Atom Count: 10
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

2-Amino-5-fluorobenzonitrile ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 20/21/22
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)C#N)N

Technology Process of 2-Amino-5-fluorobenzonitrile

There total 10 articles about 2-Amino-5-fluorobenzonitrile 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: 99.0%

2-chloro-4-fluoroaniline (2106-02-7) + 2-hydroxy-2-methylpropanenitrile (75-86-5) → 2-cyano-4-fluoroaniline (61272-77-3)

Guidance literature:

With [Pd(cinnamyl)Cl]2; N-ethyl-N,N-diisopropylamine; XPhos; In isopropyl alcohol; at 80 ℃; for 2h; Inert atmosphere;

DOI:10.1021/acs.oprd.6b00229

Reference yield: 95.0%

2,5-difluorobenzonitrile (64248-64-2) → 2-cyano-4-fluoroaniline (61272-77-3)

Guidance literature:

With ammonia; In N,N-dimethyl-formamide; at 20 ℃; for 6h; Temperature; Solvent;

Reference yield: 91.0%

2-Azido-5-fluorobenzonitrile (756839-23-3) → 2-cyano-4-fluoroaniline (61272-77-3)

Guidance literature:

With iron; In water; at 20 ℃; Inert atmosphere;

DOI:10.1016/j.tetlet.2017.07.076

upstream raw materials:

4-fluoro-2-iodoaniline

5-fluoro-2-nitrobenzonitrile

2-chloro-4-fluoroaniline

2-hydroxy-2-methylpropanenitrile

Downstream raw materials:

2-[(2,5-dichloro-4-pyridinyl)amino]-5-fluorobenzonitrile

2,2'-(triazene-1,3-diyl)-bis(5-fluorobenzonitrile)

7-fluoro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

2-amino-5-fluorobenzamide

Refernces

• 1、 Panja, Subir,kundu, Debasish,Ahammed, Sabir,Ranu, Brindaban C.. "Highly chemoselective reduction of azides to amines by Fe(0) nanoparticles in water at room temperature". supporting information. p. 3457 - 3460. Retrieved 2017/08/10.
• 2、 -. "BENZOTRIAZEPINONE DERIVATIVES". Page/Page column 78-79. . Retrieved 2010/11/25.