4-Amino-2,2-difluoro-1,3-benzodioxole

Base Information

• Chemical Name: 4-Amino-2,2-difluoro-1,3-benzodioxole
• CAS No.: 106876-54-4
• Molecular Formula: C7H5F2NO2
• Molecular Weight: 173.119
• Hs Code.: 2932990090
• European Community (EC) Number: 641-149-7
• DSSTox Substance ID: DTXSID60371682
• Nikkaji Number: J1.878.335E
• Wikidata: Q72435835
• Mol file: 106876-54-4.mol

Synonyms:4-AMINO-2,2-DIFLUORO-1,3-BENZODIOXOLE;106876-54-4;2,2-difluoro-1,3-benzodioxol-4-amine;2,2-difluorobenzo[d][1,3]dioxol-4-amine;2,2-DIFLUORO-4-AMINO-1,3-BENZODIOXOLE;2,3-(Difluoromethylenedioxy)aniline;2,2-DIFLUORO-4-AMINOBENZODIOXOLE;2,2-DIFLUORO-BENZO[1,3]DIOXOL-4-YLAMINE;SCHEMBL334653;DTXSID60371682;AMY37101;MFCD00792416;AKOS006229603;2,2-difluoro-1,3-dioxaindan-4-amine;CS-W017560;2,2-Difluoro-1,3-benzodioxole-4-amine;4-amino-2,2-diflouro-1,3-benzodioxole;4-amino-2,2-difluorobenzo-1,3-dioxole;DS-12045;4-Amino-2,2-difluoro-benzo(1.3)dioxole;4-Amino-2,2-difluorobenzo[d][1,3]dioxole;A2047;FT-0609232;C71267;EN300-3044071;4-Amino-2,2-difluoro-1,3-benzodioxole, AldrichCPR;J-514312

Chemical Property of 4-Amino-2,2-difluoro-1,3-benzodioxole

Chemical Property:

• Vapor Pressure: 0.315mmHg at 25°C
• Melting Point: >300°C(lit.)
• Refractive Index: 1.556
• Boiling Point: 200.988 °C at 760 mmHg
• PKA: 3.26±0.40(Predicted)
• Flash Point: 75.355 °C
• Density: 1.517 g/cm³
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Water Solubility.: Not miscible or difficult to mix in water.
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 173.02883473
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

98% ^*data from raw suppliers

4-Amino-2,2-difluoro-1,3-benzodioxole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C2C(=C1)OC(O2)(F)F)N
• Uses: 4-Amino-2,2-difluoro-1,3-benzodioxole is used in organic synthesis.

Technology Process of 4-Amino-2,2-difluoro-1,3-benzodioxole

There total 8 articles about 4-Amino-2,2-difluoro-1,3-benzodioxole 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: 82.0%

(2,2-difluoro-1,3-benzodioxol-4-yl)ethanone oxime → 2,2-difluoro-1,3-benzodioxol-4-ylamine (106876-54-4)

Guidance literature:

(2,2-difluoro-1,3-benzodioxol-4-yl)ethanone oxime; With phosphorus pentachloride; In benzene; for 0.25h; Heating;

With hydrogenchloride; In ethanol; water; for 6h; Heating;

DOI:10.1002/ejoc.200390079

Reference yield: 80.0%

4-azido-2,2-difluoro-1,3-benzodioxole → 2,2-difluoro-1,3-benzodioxol-4-ylamine (106876-54-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 6h;

DOI:10.1002/ejoc.200390079

Reference yield: 65.9%

2,2-difluoro-4-nitrobenzo[d][1,3]dioxolane (148928-60-3) → 2,2-difluoro-1,3-benzodioxol-4-ylamine (106876-54-4)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; potassium carbonate; In methanol; at 40 ℃; for 4h; under 1500.15 Torr; Autoclave;

upstream raw materials:

2,2-difluoro-1,3-benzodioxole

2,2-difluoro-1,3-benzodioxole-4-carboxylic acid

1-(2,2-difluorobenzo[1,3]dioxan-4-yl)ethanone

5,6-dichloro-4-nitro-2,2-difluoro-benzo(1.3)dioxole

Refernces

• 1、 -. "Bactericide and application thereof". . . Retrieved 2019/01/08.
• 2、 Schlosser, Manfred,Gorecka, Joanna,Castagnetti, Eva. "A homologous series of O- and N-functionalized 2,2-difluoro-1,3-benzodioxoles: An exercise in organometallic methodology". . p. 452 - 462. Retrieved 2007/10/03.