3,4-Difluorobenzene-1,2-diamine

Base Information

• Chemical Name: 3,4-Difluorobenzene-1,2-diamine
• CAS No.: 153505-39-6
• Molecular Formula: C₆H₆F₂N₂
• Molecular Weight: 144.124
• Hs Code.: 2921590090
• European Community (EC) Number: 671-859-2
• DSSTox Substance ID: DTXSID90371574
• Wikidata: Q72463824
• ChEMBL ID: CHEMBL1650254
• Mol file: 153505-39-6.mol

Synonyms:153505-39-6;3,4-difluorobenzene-1,2-diamine;1,2-DIAMINO-3,4-DIFLUOROBENZENE;5,6-Difluorobenzene-1,2-diamine;1,2-Benzenediamine, 3,4-difluoro-;MFCD00153128;3,4-DIFLUORO-1,2-PHENYLENEDIAMINE;SCHEMBL102594;CHEMBL1650254;DTXSID90371574;QILZDWMMWFCBPW-UHFFFAOYSA-N;1,2-diamino-3,4-difluoro-benzene;3,4-difluoro-benzene-1,2-diamine;TD1216;AKOS009158099;CCG-302534;CS-W002442;PS-8973;BP-10138;SY005557;FT-0643506;1,2-Diamino-3,4-difluorobenzene, AldrichCPR;EN300-91153;J-506958;Z992436118

Chemical Property of 3,4-Difluorobenzene-1,2-diamine

Chemical Property:

• Vapor Pressure: 0.00301mmHg at 25°C
• Melting Point: 114.7-117.2 °C
• Refractive Index: 1.575
• Boiling Point: 257.676 °C at 760 mmHg
• PKA: 3.20±0.10(Predicted)
• Flash Point: 113.696 °C
• PSA: 52.04000
• Density: 1.407 g/cm³
• LogP: 2.29160
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 144.04990452
• Heavy Atom Count: 10
• Complexity: 120

Purity/Quality:

97% ^*data from raw suppliers

3,4-Difluorobenzene-1,2-diamine 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1N)N)F)F

Technology Process of 3,4-Difluorobenzene-1,2-diamine

There total 2 articles about 3,4-Difluorobenzene-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: 44.0%

4,5-difluoro-2,1,3-benzothiadiazole → 3,4-difluoro-1,2-phenylenediamine (153505-39-6)

Guidance literature:

With sodium tetrahydroborate; cobalt(II) diacetate tetrahydrate; In ethanol; for 9h; Reflux;

DOI:10.1016/j.jfluchem.2014.06.019

Reference yield:

2-amino-3,4-difluoronitro-benzene (211693-73-1) → 3,4-difluoro-1,2-phenylenediamine (153505-39-6)

Guidance literature:

With hydrogenchloride; iron; In ethanol; water; Reflux;

DOI:10.1016/j.bmcl.2011.11.098

Reference yield: 66.0%

3,4-difluoro-1,2-phenylenediamine (153505-39-6) + (2R)-aspartic acid (1783-96-6,25608-40-6,27881-03-4,32505-46-7,52526-39-3) → C10H9F2N3O2 (884047-71-6)

Guidance literature:

With hydrogenchloride; In water; Heating / reflux;

upstream raw materials:

2-amino-3,4-difluoronitro-benzene

Downstream raw materials:

C₁₀H₉F₂N₃O₂

tert-butyl 2-(2-amino-3,4-difluorophenylamino)-2-oxoethylcarbamate

tert-butyl 2-(6-amino-2,3-difluorophenylamino)-2-oxoethylcarbamate

2-chloro-N-((4,5-difluoro-1H-benzo[d]imidazol-2-yl)methyl)-9-(3-fluorophenyl)-9H-purin-6-amine