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Tert-butyl 3-fluoro-4-nitrobenzoate

Base Information Edit
  • Chemical Name:Tert-butyl 3-fluoro-4-nitrobenzoate
  • CAS No.:157665-52-6
  • Molecular Formula:C11H12 F N O4
  • Molecular Weight:241.219
  • Hs Code.:
  • European Community (EC) Number:855-046-1
  • DSSTox Substance ID:DTXSID00440043
  • Nikkaji Number:J1.701.630J
  • Wikidata:Q82256203
  • Mol file:157665-52-6.mol
Tert-butyl 3-fluoro-4-nitrobenzoate

Synonyms:TERT-BUTYL 3-FLUORO-4-NITROBENZOATE;157665-52-6;TERT-BUTYL3-FLUORO-4-NITROBENZOATE;SCHEMBL357203;Benzoic acid, 3-fluoro-4-nitro-, 1,1-dimethylethyl ester;DTXSID00440043;CXQXHHIIMBWMCH-UHFFFAOYSA-N;AKOS013153176;BS-49259;CS-0127791;FT-0746069;3-Fluoro-4-nitrobenzoic acid tert-butyl ester;3-fluoro-4-nitro-benzoic acid tert-butyl ester;D96466;EN300-120335;A1-06556

Suppliers and Price of Tert-butyl 3-fluoro-4-nitrobenzoate
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • Matrix Scientific
  • tert-Butyl 3-fluoro-4-nitrobenzoate 95%
  • 5g
  • $ 1486.00
  • Labseeker
  • tert-butyl3-fluoro-4-nitrobenzoate 95
  • 25g
  • $ 3483.00
  • American Custom Chemicals Corporation
  • TERT-BUTYL-3-FLUORO-4-NITROBENZOATE 95.00%
  • 5MG
  • $ 502.55
  • AK Scientific
  • Tert-butyl3-fluoro-4-nitrobenzoate
  • 5g
  • $ 2056.00
  • A1 Biochem Labs
  • tert-Butyl3-fluoro-4-nitrobenzoate 95%
  • 5 g
  • $ 900.00
  • A1 Biochem Labs
  • tert-Butyl3-fluoro-4-nitrobenzoate 95%
  • 1 g
  • $ 350.00
Total 6 raw suppliers
Chemical Property of Tert-butyl 3-fluoro-4-nitrobenzoate Edit
Chemical Property:
  • Boiling Point:337.9±32.0 °C(Predicted) 
  • PSA:72.12000 
  • Density:1.250±0.06 g/cm3(Predicted) 
  • LogP:3.21240 
  • XLogP3:3.2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Rotatable Bond Count:3
  • Exact Mass:241.07503603
  • Heavy Atom Count:17
  • Complexity:308
Purity/Quality:

99% *data from raw suppliers

tert-Butyl 3-fluoro-4-nitrobenzoate 95% *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC(C)(C)OC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])F
Technology Process of Tert-butyl 3-fluoro-4-nitrobenzoate

There total 6 articles about Tert-butyl 3-fluoro-4-nitrobenzoate 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:
Guidance literature:
With 1-methyl-1H-imidazole; N,N,N',N'-tetramethylchloroformamidinium hexafluorophosphate; In chloroform; at 100 ℃; for 2h;
Guidance literature:
With dmap; In tetrahydrofuran; at 20 - 40 ℃; for 3h;
Guidance literature:
Multi-step reaction with 2 steps
1: 62 percent / SOCl2 / toluene / 3 h / Heating
2: 1.) BuLi / 1.) hexane, 20 deg C, 20 min, 2.) hexane, THF, 22 h
With n-butyllithium; thionyl chloride; In toluene;
DOI:10.1021/jm00041a015
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