2,3-Dihydro-2,2-dimethyl-7-nitrobenzofuran

Base Information

• Chemical Name: 2,3-Dihydro-2,2-dimethyl-7-nitrobenzofuran
• CAS No.: 13414-55-6
• Molecular Formula: C10H11 N O3
• Molecular Weight: 193.202
• Hs Code.: 2932999099
• European Community (EC) Number: 236-508-6
• UNII: XZZ5NN49BY
• DSSTox Substance ID: DTXSID0065438
• Nikkaji Number: J317.867F
• Wikidata: Q27294077
• Mol file: 13414-55-6.mol

Synonyms:2,3-Dihydro-2,2-dimethyl-7-nitrobenzofuran;13414-55-6;2,2-dimethyl-7-nitro-3H-1-benzofuran;Benzofuran, 2,3-dihydro-2,2-dimethyl-7-nitro-;EINECS 236-508-6;UNII-XZZ5NN49BY;XZZ5NN49BY;SCHEMBL2963825;DTXSID0065438;7-Nitro-2,2-dimethyl-2,3-dihydro-benzofuran;2,2-Dimethyl-7-nitro-2,3-dihydro-1-benzofuran #;Q27294077

Chemical Property of 2,3-Dihydro-2,2-dimethyl-7-nitrobenzofuran

Chemical Property:

• Vapor Pressure: 0.00548mmHg at 25°C
• Boiling Point: 283.2°C at 760 mmHg
• Flash Point: 125.2°C
• PSA: 55.05000
• Density: 1.208g/cm³
• LogP: 2.83150
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 193.07389321
• Heavy Atom Count: 14
• Complexity: 246

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC2=C(O1)C(=CC=C2)[N+](=O)[O-])C
• Uses: 2,3-Dihydro-2,2-dimethyl-7-nitrobenzofuran is an impurity of Carbofuran (C176590), which is a a cholinesterase inhibitor. Also used as systemic insecticide, acaricide, and nematocide. Used in Pesticide detection.

Technology Process of 2,3-Dihydro-2,2-dimethyl-7-nitrobenzofuran

There total 1 articles about 2,3-Dihydro-2,2-dimethyl-7-nitrobenzofuran 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:

2-[(2-methyl-2-propenyl)oxy]-1-nitrobenzene (13414-54-5) → 2,3-dihydro-2,2-dimethyl-7-nitrobenzofuran (13414-55-6)

Guidance literature:

With magnesium chloride; at 180 ℃;

DOI:10.1021/jm950828+

Reference yield:

2,3-dihydro-2,2-dimethyl-7-nitrobenzofuran (13414-55-6) → 2,3-dihydro-2,2-dimethyl-7-aminobenzofuran (68298-46-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; under 760 Torr;

DOI:10.1021/jm950828+

Reference yield:

2,3-dihydro-2,2-dimethyl-7-nitrobenzofuran (13414-55-6) + 2-hydroxynitrobenzene (88-75-5,78813-12-4) + 3-Chloro-2-methylpropene (563-47-3) → 2-isobutenyl-6-nitrophenol (64061-59-2)

Guidance literature:

In dimethyl sulfoxide;

upstream raw materials:

2-[(2-methyl-2-propenyl)oxy]-1-nitrobenzene

Downstream raw materials:

2,3-dihydro-2,2-dimethyl-7-aminobenzofuran

2-isobutenyl-6-nitrophenol

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