2-[Bis[(tert-butyloxy)carbonyl]amino]-3-nitrobenzoic Acid Methyl Ester

Base Information

• Chemical Name: 2-[Bis[(tert-butyloxy)carbonyl]amino]-3-nitrobenzoic Acid Methyl Ester
• CAS No.: 342794-46-1
• Molecular Formula: C18H24N2O8
• Molecular Weight: 396.39176
• DSSTox Substance ID: DTXSID40463933
• Wikidata: Q82289038
• Mol file: 342794-46-1.mol

Synonyms:342794-46-1;2-[Bis[(tert-butyloxy)carbonyl]amino]-3-nitrobenzoic Acid Methyl Ester;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-nitrobenzoate;2-[Bis[(1,1-dimethylethoxy)carbonyl]amino]-3-nitrobenzoic Acid Methyl Ester;methyl 2-(bis-(tert-butoxycarbonyl)amino)-3-nitrobenzoate;OZAOSBWMCLPZDA-UHFFFAOYSA-N;SCHEMBL465940;DTXSID40463933;FT-0663233

Chemical Property of 2-[Bis[(tert-butyloxy)carbonyl]amino]-3-nitrobenzoic Acid Methyl Ester

Chemical Property:

• Boiling Point: 474.7±55.0 °C(Predicted)
• PKA: -5.58±0.50(Predicted)
• PSA: 127.96000
• Density: 1.253±0.06 g/cm3(Predicted)
• LogP: 4.58120
• Solubility.: Dichloromethane
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 396.15326573
• Heavy Atom Count: 28
• Complexity: 587

Purity/Quality:

98% ^*data from raw suppliers

2-[Bis[(tert-butyloxy)carbonyl]amino]-3-nitrobenzoicAcidMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N(C1=C(C=CC=C1[N+](=O)[O-])C(=O)OC)C(=O)OC(C)(C)C
• Uses: 2-[Bis[(1,1-diMethylethoxy)carbonyl]aMino]-3-nitrobenzoic Acid Methyl Ester can be used in the preparation of phenylquinazolinone derivatives and its analogs.