2,2-Difluorobenzo[d][1,3]dioxol-5-amine

Base Information

• Chemical Name: 2,2-Difluorobenzo[d][1,3]dioxol-5-amine
• CAS No.: 1544-85-0
• Molecular Formula: C7H5 F2 N O2
• Molecular Weight: 173.119
• Hs Code.: 2932999099
• European Community (EC) Number: 639-983-1
• DSSTox Substance ID: DTXSID80371684
• Nikkaji Number: J2.644.235D
• Wikidata: Q72462323
• Mol file: 1544-85-0.mol

Synonyms:1544-85-0;2,2-Difluoro-5-aminobenzodioxole;2,2-Difluorobenzo[d][1,3]dioxol-5-amine;2,2-difluoro-1,3-benzodioxol-5-amine;2,2-Difluoro-5-amino-1,3-benzodioxole;5-AMINO-2,2-DIFLUORO-1,3-BENZODIOXOLE;5-AMINO-2,2-DIFLUOROBENZODIOXOLE;MFCD00190144;1,3-Benzodioxol-5-amine, 2,2-difluoro-;2,2-difluoro-5-aminobenzo[d][1,3]dioxole;3,4-(difluoromethylenedioxy)aniline;2,2-DIFLUORO-2H-1,3-BENZODIOXOL-5-AMINE;SCHEMBL167634;DTXSID80371684;XBJLCOUCQBSNEA-UHFFFAOYSA-N;BBL103407;STL557217;AKOS001105746;2,2-difluoro-1,3-dioxaindan-5-amine;CS-W021471;PB17141;PS-8649;2,2-Difluoro-1,3-benzodioxole-5-amine;5-amino-2,2-difluorobenzo-1,3-dioxole;SY009396;FT-0619970;3,4-[(DIFLUOROMETHYLENE)DIOXY]ANILINE;EN300-14335;2,2-DIFLUORO-BENZO[1,3]DIOXOL-5-YLAMINE;A809542;5-Amino-2,2-difluoro-1,3-benzodioxole, AldrichCPR;Z99600470;2,2-DIFLUORO-5-AMINO-1,3-BENZODIOXOLE

Chemical Property of 2,2-Difluorobenzo[d][1,3]dioxol-5-amine

Chemical Property:

• Vapor Pressure: 0.0208mmHg at 25°C
• Refractive Index: 1.498
• Boiling Point: 217.2 °C at 760 mmHg 95-97°C 12mm
• PKA: 4.18±0.40(Predicted)
• Flash Point: 85.2 °C
• PSA: 44.48000
• Density: 1.51 g/cm³
• LogP: 2.17150
• Storage Temp.: Room temperature.
• Sensitive.: Light Sensitive
• 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:

97% ^*data from raw suppliers

2,2-Difluorobenzo[d][1,3]dioxol-5-amine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T,Xi
• Statements: 20/21/22-36/37/38-52-43-36
• Safety Statements: 26-36/37/39-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1N)OC(O2)(F)F
• Uses: 5-Amino-2,2-difluoro-1,3-benzodioxole is used as a pharmaceutical intermediate.

Technology Process of 2,2-Difluorobenzo[d][1,3]dioxol-5-amine

There total 4 articles about 2,2-Difluorobenzo[d][1,3]dioxol-5-amine 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: 85.0%

2,2-difluoro-5-nitrobenzo[d][1,3]dioxolane (1645-96-1) → 2,2-difluoro-benzo[1,3]dioxol-5-ylamine (1544-85-0)

Guidance literature:

With sodium sulfide; sodium hydrogencarbonate; In methanol; water; for 1h; Heating;

DOI:10.1021/jo801116n

Reference yield: 27.0%

→ 2,2-difluoro-benzo[1,3]dioxol-5-ylamine (1544-85-0)

Guidance literature:

With magnesium; ethylene dibromide; In tetrahydrofuran; Inert atmosphere;

With C₁₀H₁₇NO; In tetrahydrofuran; toluene; at -78 ℃; for 2h; Inert atmosphere;

Reference yield:

tin(II)chloride dihydrate + 2,2-difluoro-5-nitrobenzo[d][1,3]dioxolane (1645-96-1) → 2,2-difluoro-benzo[1,3]dioxol-5-ylamine (1544-85-0)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; water;

upstream raw materials:

2,2-difluoro-5-nitrobenzo[d][1,3]dioxolane

2,2-difluoro-1,3-benzodioxole

Downstream raw materials:

4'-(2-benzyloxyethyl)-6-methylbiphenyl-2-carboxylic acid (2,2-difluorobenzo[1,3]dioxol-5-yl)amide

4,6-dibromo-2,2-difluorobenzo[d][1,3]dioxol-5-amine

2,2-difluoro-9-(3,5-dimethoxyphenyl)-6,9-dihydro[1,3]dioxolo[4,5-g]furo[3,4-b]quinolin-8(5H)-one