423564
4-Bromomethyl-3-nitrobenzoic acid
97%
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About This Item
Linear Formula:
BrCH2C6H3(NO2)CO2H
CAS Number:
Molecular Weight:
260.04
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
1970939
Assay:
97%
Form:
solid
Product Name
4-Bromomethyl-3-nitrobenzoic acid, 97%
InChI
1S/C8H6BrNO4/c9-4-6-2-1-5(8(11)12)3-7(6)10(13)14/h1-3H,4H2,(H,11,12)
SMILES string
OC(=O)c1ccc(CBr)c(c1)[N+]([O-])=O
InChI key
QMAHVAFURJBOFV-UHFFFAOYSA-N
assay
97%
form
solid
mp
127-130 °C (lit.)
solubility
DMF: soluble(lit.)
dichloromethane: soluble(lit.)
functional group
bromo
carboxylic acid
nitro
Quality Level
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Application
4-Bromomethyl-3-nitrobenzoic acid may be used in the following studies:
- As a reactant in the synthesis of 4-bromomethyl-3-nitrobenzoic acid succinimide ester (BNBA-SE).
- As a reactant in the synthesis of 4-(2-hydroxyethylmercaptylmethyl)-3-nitrobenzoic acid.
- As a reactant in the synthesis of decyl 4-(bromomethyl)-3-nitrobenzoate.
- As a reactant in the synthesis of 4-((2-(hydroxymethyl)phenylamino)methyl)-3-nitrobenzoic acid.
- As a thiol photo-deprotection reagent.
- As a UV-cleavable reagent to functionalize polyacrylamide acryl hydrate (PAAH).
- As a photocleavable linker to form localized photoinversion of surface charges inside the colloidal crystal.
- As a starting material in the synthesis of 2H-indazole based library using parallel solution-phase methods.
- As a reactant in the synthesis of (N-allyloxycarbonyl)-5-aminopent-1-yl 4-bromomethyl-3-nitrobenzoate.
General description
4-Bromomethyl-3-nitrobenzoic acid (BNBA) is a benzoic acid derivative. It has been synthesized by the nitration of 4-bromomethylbenzoic acid using fuming nitric acid. It participates in the synthesis of 3,4-dihydro-2(1H)-quinazolinones and 3,4-dihydro-1H-quinazolin-2-thiones.
signalword
Danger
hcodes
Hazard Classifications
Skin Corr. 1B
Storage Class
8A - Combustible corrosive hazardous materials
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
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Syntheses of nucleosides designed for combinatorial DNA sequencing.
Welch MB, et al.
Chemistry (Weinheim An Der Bergstrasse, Germany), 5, 951-960 (1999)
Solid-phase synthesis of 3, 4-dihydro-2 (1H)-quinazolinones and 3, 4-dihydro-1H-quinazolin-2-thiones.
Sun Q, et al.
Tetrahedron Letters, 42(25), 4119-4121 (2001)
Eric Besson et al.
Langmuir : the ACS journal of surfaces and colloids, 22(20), 8346-8352 (2006-09-20)
This work describes how selective patterning of hydrophobic and hydrophilic areas inside microchannels of microfluidic devices can be achieved by combining well-known chemical protocols and standard photolithography equipment (365 nm). Two techniques have been performed and compared. The first technique
Hai-Yuan Hsu et al.
Molecular diversity, 16(2), 241-249 (2011-12-20)
An efficient microwave-assisted and water-soluble ionic liquid (IL)-supported synthesis of medicinally important dihydro- and tetrahydroquinazolines has been developed. The protocol involves the S(N)2 substitution reaction of IL-bound 4-bromomethyl-3-nitrobenzoic acid with various primary amines to provide IL-bound 4-((alkylamino) methyl)-3-nitrobenzoate under microwave
Aaron D Mills et al.
Journal of combinatorial chemistry, 9(1), 171-177 (2007-01-09)
A library of 200 2-alkyl-3-alkyloxy-2H-indazole-6-carboxamides was synthesized using parallel solution-phase methods. The indazole cyclization reaction was optimized for library production with the best yields resulting from controlled alcohol/water solvent ratios. The key step, a heterocyclization reaction, proceeds by N,N-bond formation
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