4-Fluorobenzene-1,2-diamine

Base Information

• Chemical Name: 4-Fluorobenzene-1,2-diamine
• CAS No.: 367-31-7
• Molecular Formula: C6H7FN2
• Molecular Weight: 126.133
• Hs Code.: 29215110
• European Community (EC) Number: 206-691-7
• DSSTox Substance ID: DTXSID30190145
• Nikkaji Number: J193.877K
• Wikidata: Q72462872
• Mol file: 367-31-7.mol

Synonyms:4-Fluorobenzene-1,2-diamine;367-31-7;4-Fluoro-1,2-phenylenediamine;1,2-Diamino-4-fluorobenzene;4-Fluoro-o-phenylenediamine;3,4-diaminofluorobenzene;2-amino-4-fluoroaniline;3,4-Diamino-1-fluorobenzene;1,2-Benzenediamine, 4-fluoro-;4-fluoro-1,2-diaminobenzene;C6H7FN2;MFCD00042228;5-Fluoro-1,2-diaminobenzene;EINECS 206-691-7;4-fluoro-1,2-benzenediamine;4-fluorophenylenediamine;SCHEMBL103128;4-fluoro-1,2-phenylendiamine;4-Fluoro-benzene-1,2-diamine;4-fluoro-ortho-phenylenediamine;DTXSID30190145;CL8380;AKOS005292224;4-Fluoro-1,2-phenylenediamine, 97%;AB01910;AC-9694;AM61498;CCG-302500;CS-W007604;MS-8972;SY016073;BB 0258962;D3726;FT-0632050;EN300-45055;J-515396;F0001-1053;Z273611666

Chemical Property of 4-Fluorobenzene-1,2-diamine

Chemical Property:

• Melting Point: 94-98 °C
• Boiling Point: 266.11 °C at 760 mmHg
• PKA: 4.22±0.10(Predicted)
• Flash Point: 117.98 °C
• PSA: 52.04000
• Density: 1.284 g/cm³
• LogP: 2.15250
• Storage Temp.: Room temperature.
• Sensitive.: Light Sensitive
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: Slightly soluble in water.
• XLogP3: 0.8
• 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:

99% ^*data from raw suppliers

4-Fluoro-1,2-phenylenediamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)N)N
• Uses: 4-Fluoro-o-phenylenediamine is used as pharmaceutical intermediate.

Technology Process of 4-Fluorobenzene-1,2-diamine

There total 13 articles about 4-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: 98.0%

5-fluoro-2-nitroaniline (2369-11-1) → 4-fluoro-1,2-phenylenediamine (367-31-7)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; at 20 ℃; for 12h; under 3361.46 - 3620.04 Torr;

DOI:10.1021/ma0489467

Reference yield: 96.0%

2-nitro-4-fluoroaniline (364-78-3) → 4-fluoro-1,2-phenylenediamine (367-31-7)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; at 20 ℃; for 12h; under 3361.46 - 3620.04 Torr;

DOI:10.1021/ma0489467

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-nitro-4-fluoroaniline

5-fluoro-2-nitroaniline

2,4-Difluoronitrobenzene

4'-fluoroacetanilide

Downstream raw materials:

5-fluoro-1,3-dihydro-2H-benzo[d]imidazol-2-one

5-fluoro-1H-benzoimidazole

6-fluoro-1,4-dihydro-2,3-quinoxalinedione

2-methyl-7-methylamino-8-nitroquinoxaline

Refernces

• 1、 Ferreira, Rafael Augusto Alves,Junior, Celso de Oliveira Rezende,Martinez, Pablo David Grigol,Koovits, Paul John,Soares, Bruna Miranda,Ferreira, Leonardo L. G.,Michelan-Duarte, Simone,Chelucci, Rafael Consolin,Andricopulo, Adriano D.,Galuppo, Mariana K.,Uliana, Silvia R. B.,Matheeussen, An,Caljon, Guy,Maes, Louis,Campbell, Simon,Kratz, Jadel M.,Mowbray, Charles E.,Dias, Luiz Carlos. "2-aminobenzimidazoles for leishmaniasis: From initial hit discovery to in vivo profiling". . . Retrieved 2021/03/24.
• 2、 -. "4 - Fluorine substituted aryl amine compound and synthesis method thereof". . . Retrieved 2021/09/22.