2-Amino-6-fluorobenzonitrile

Base Information

• Chemical Name: 2-Amino-6-fluorobenzonitrile
• CAS No.: 77326-36-4
• Molecular Formula: C7H5FN2
• Molecular Weight: 136.129
• Hs Code.: 29269090
• European Community (EC) Number: 616-451-7
• UNII: MKH6CY3HWJ
• DSSTox Substance ID: DTXSID10335032
• Nikkaji Number: J307.946E
• Wikidata: Q72437151
• Mol file: 77326-36-4.mol

Synonyms:2-Amino-6-fluorobenzonitrile;77326-36-4;Benzonitrile, 2-amino-6-fluoro-;2-Amino-6-fluorobenzo-nitrile;MFCD00015477;EC 616-451-7;6-Fluoroanthranilonitrile;6-Fluoro-2-aminobenzonitrile;2-fluoro-6-aminobenzonitrile;2-amino-6-fluoro-benzonitrile;6-Fluoroanhranilonitrile;MKH6CY3HWJ;2-Cyano-3-fluoroaniline;SCHEMBL165576;2-amino-6-fluoro-benzo-nitrile;DTXSID10335032;PC1071Q;6-amino-2-fluorobenzenecarbonitrile;BCP14112;2-Amino-6-fluorobenzonitrile, 99%;BBL027814;STK503755;AKOS005145803;AC-2314;BH-0415;CS-W001178;A9790;AM20060083;FT-0601440;EN300-24406;J-507991;0IF

Chemical Property of 2-Amino-6-fluorobenzonitrile

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.805mmHg at 25°C
• Melting Point: 125-128 °C(lit.)
• Refractive Index: 1.399
• Boiling Point: 275.775 °C at 760 mmHg
• PKA: 0.80±0.10(Predicted)
• Flash Point: 120.585 °C
• PSA: 49.81000
• Density: 1.256 g/cm³
• LogP: 1.86078
• Storage Temp.: Refrigerator
• Solubility.: Chloroform
• XLogP3: 1.6
• 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-6-fluorobenzonitrile ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)F)C#N)N
• Uses: 2-Amino-6-fluorobenzonitrile, a medicinal chemistry intermediate, has been employed for the preparation of tacrine-related compounds. It may be used for the synthesis of antifolate and antibacterial quinazoline derivatives. It may be used for the synthesis bis(4-oxoquinazolin-2-yl)pyridine and fluoro-containing quinazolin-4(1H)-ones. It may be employed for the synthesis of the following novel huprines:12-amino-3-chloro-6,7,10,11-tetrahydro-9-isopropyl-7,11-methanocycloocta[b]quinoline hydrochloride9-allyl-12-amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinoline hydrochloride12-amino-1-fluoro-6,7,10,11-tetrahydro-9-isopropyl-7,11-methanocycloocta[b]quinoline hydrochloride9-allyl-12-amino-1-fluoro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinoline hydrochloride

Technology Process of 2-Amino-6-fluorobenzonitrile

There total 6 articles about 2-Amino-6-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%

2,6 difluorobenzonitrile (1897-52-5) → 2-amino-6-fluorobenzonitrile (77326-36-4)

Guidance literature:

With ammonia; In dimethyl sulfoxide; at 80 ℃; for 80h; closed bottle;

DOI:10.1021/jo00047a008

Reference yield:

NH4 OAc + 2,6 difluorobenzonitrile (1897-52-5) → 2-amino-6-fluorobenzonitrile (77326-36-4)

Guidance literature:

In formamide;

Reference yield:

2-(aminomethyl)-3-fluoroaniline → 2-amino-6-fluorobenzonitrile (77326-36-4)

Guidance literature:

With ammonium hydroxide; oxygen; In tert-Amyl alcohol; at 110 ℃; for 24h; under 2250.23 Torr; Autoclave; Green chemistry;

DOI:10.1002/cssc.201402613

upstream raw materials:

2,6 difluorobenzonitrile

meta-fluoroaniline

trichloroacetonitrile

2,6-dichloro-benzonitrile

Downstream raw materials:

2,4-diamino-5-fluoroquinazoline

3-fluoro-1,2-benzenedicarbonitrile

2-bromo-6-fluorobenzonitrile

2-fluoro-6-iodobenzonitrile