3-Fluorobenzene-1,2-diamine

Base Information

• Chemical Name: 3-Fluorobenzene-1,2-diamine
• CAS No.: 18645-88-0
• Molecular Formula: C6H7FN2
• Molecular Weight: 126.133
• Hs Code.: 29215900
• European Community (EC) Number: 848-333-8
• DSSTox Substance ID: DTXSID10382329
• Nikkaji Number: J1.915.982E
• Wikidata: Q72475807
• Mol file: 18645-88-0.mol

Synonyms:3-fluorobenzene-1,2-diamine;18645-88-0;2,3-Diaminofluorobenzene;3-Fluoro-1,2-phenylenediamine;1,2-DIAMINO-3-FLUOROBENZENE;3-Fluoro-benzene-1,2-diamine;2-Amino-3-fluorophenylamine;MFCD00061130;1,2-BENZENEDIAMINE, 3-FLUORO-;3-fluorobenzenediamine;3-fluorophenylenediamine;2-amino-3-fluoroaniline;3-fluoro-o-phenylene diamine;3-fluoro-1,2-diaminobenzene;SCHEMBL601969;DTXSID10382329;OJSCBKGRGMBEEW-UHFFFAOYSA-N;AMY28467;BCP16011;2,3-diaminofluorobenzene, AldrichCPR;AKOS009158596;CS-W019866;MB00506;PS-9175;BL005469;SY016067;BB 0257180;FT-0710685;EN300-45072;A20806;W-206350;Z451390566;2-amino-3-fluorophenylamine;3-Fluorobenzene-1,2-diamine

Chemical Property of 3-Fluorobenzene-1,2-diamine

Chemical Property:

• Vapor Pressure: 0.0348mmHg at 25°C
• Melting Point: 40.9°C-42.2°C
• Refractive Index: 1.625
• Boiling Point: 242 °C at 760mmHg
• PKA: 3.15±0.10(Predicted)
• Flash Point: 105.6 °C
• PSA: 52.04000
• Density: 1.284 g/cm³
• LogP: 2.15250
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Sensitive.: Light Sensitive/Air Sensitive
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 126.05932639
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

98%min ^*data from raw suppliers

2,3-Diaminofluorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Fluorobenzene-1,2-diamine

There total 10 articles about 3-Fluorobenzene-1,2-diamine 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: 97.0%

2-fluoro-6-nitroaniline (17809-36-8) → 3-fluorobenzene-1,2-diamine (18645-88-0)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃; under 760.051 Torr;

DOI:10.1016/j.ejmech.2018.10.031

Reference yield: 42.0%

N-(2-fluoro-6-nitrophenyl)acetamide (342-52-9) → 3-fluorobenzene-1,2-diamine (18645-88-0)

Guidance literature:

With hydrogenchloride; tin(II) chloride dihdyrate; In ethanol; water; at 20 ℃;

DOI:10.1016/j.ejmech.2019.111748

Reference yield: 32.0%

tetrabutylammonium (3-fluorophenyl)sulfamate → 4-fluoro-1,2-phenylenediamine (367-31-7) + 3-fluorobenzene-1,2-diamine (18645-88-0)

Guidance literature:

tetrabutylammonium (3-fluorophenyl)sulfamate; With O-(4-nitrobenzoyl)hydroxylammonium trifluoromethanesulfonate; iron(II) bromide; at 30 ℃; for 4h;

With hydrogenchloride; In methanol; at 20 ℃; for 1h;

DOI:10.1021/jacs.1c05531

upstream raw materials:

2-fluoro-6-nitroaniline

2-Fluoroaniline

N-(2-fluorophenyl)acetamide

2,6-difluoro-1-nitrobenzene

Downstream raw materials:

2,3-dihydro-8-fluorothiazolo<3,2a>benzimidazole

5-fluoro-1-isopropenyl-1,3-dihydro-benzoimidazol-2-one

(4-Fluoro-1H-benzimidazol-2-yl)-methylamine

5-(4-(7-fluoro-1H-benzo[d]imidazol-2-yl)pyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-(N-methylmethylsulfonamido)benzofuran-3-carboxamide

Refernces

• 1、 -. "FERROPORTIN INHIBITORS AND METHODS OF USE". Paragraph 0281; 0282. . Retrieved 2020/07/07.
• 2、 Carta, Antonio,Bua, Alessandra,Corona, Paola,Piras, Sandra,Briguglio, Irene,Molicotti, Paola,Zanetti, Stefania,Laurini, Erik,Aulic, Suzana,Fermeglia, Maurizio,Pricl, Sabrina. "Design, synthesis and antitubercular activity of 4-alkoxy-triazoloquinolones able to inhibit the M. tuberculosis DNA gyrase". . p. 399 - 415. Retrieved 2018/10/31.