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Chemical Structure| 42087-80-9 Chemical Structure| 42087-80-9

Structure of 42087-80-9

Chemical Structure| 42087-80-9

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Product Details of [ 42087-80-9 ]

CAS No. :42087-80-9
Formula : C8H6ClNO4
M.W : 215.59
SMILES Code : O=C(OC)C1=CC=C(Cl)C=C1[N+]([O-])=O
MDL No. :MFCD00007213
Boiling Point : No data available
InChI Key :JWOSXVMUUBWGOL-UHFFFAOYSA-N
Pubchem ID :39135

Safety of [ 42087-80-9 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 42087-80-9 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 42087-80-9 ]

[ 42087-80-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 872-50-4 ]
  • [ 42087-80-9 ]
  • [ 498-63-5 ]
  • 4-(2-hydroxymethyl-1-pyrrolidinyl)-2-nitrobenzoic acid methyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
In water; ethyl acetate; (1) A mixture of 4-chloro-2-nitrobenzoic acid methyl ester 100 mg, <strong>[498-63-5]prolinol</strong> 235 mg and 1-methyl-2-pyrrolidinone 3 ml is stirred at 100° C. for 3 hours. After cooling to room temperature, ethyl acetate and water are added to the mixture. The organic layer is washed with water (twice) and brine, and dried over sodium sulfate. After removal of the sodium sulfate, the filtrate is concentrated in vacuo, and the residue is purified with preparative thin-layer chromatography (two plates, solvent; hexane:ethyl acetate=1:1) to give 4-(2-hydroxymethyl-1-pyrrolidinyl)-2-nitrobenzoic acid methyl ester 20 mg as a yellow oil. MS(m/z): 281 (M+H)+
With N-ethyl-N,N-diisopropylamine; In water; ethyl acetate; (2) A mixture of 4-chloro-2-nitrobenzoic acid methyl ester 100 mg, <strong>[498-63-5]prolinol</strong> 56 mg, diisopropylethylamine 90 mg and 1-methyl-2-pyrrolidinone 3 ml is stirred at 100° C. for 13 hours. Ethyl acetate and water are added to the mixture, and the organic layer is washed with water (twice) and brine, and dried over sodium sulfate. After removal of the sodium sulfate, the filtrate is concentrated in vacuo, and the residue is purified with column chromatography (silica gel 100 g, solvent; hexane:ethyl acetate=4:1-->2:1-->1:1-->100percent ethyl acetate) to give 4-(2-hydroxymethyl-1-pyrrolidinyl)-2-nitrobenzoic acid methyl ester 1.298 g as a pale yellow viscosity oil. MS(m/z): 285(M+H)+
 

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