ChemicalBook--->CAS DataBase List--->30095-98-8

30095-98-8

30095-98-8 Structure

30095-98-8 Structure
IdentificationBack Directory
[Name]

METHYL (2-NITRO-PHENYL)-ACETATE
[CAS]

30095-98-8
[Synonyms]

Methyl o-nitrophenylacetate
METHYL (NITRO-PHENYL)-ACETATE
METHYL 2-(2-NITROPHENYL)ACETATE
METHYL (2-NITRO-PHENYL)-ACETATE
2-Nitrobenzeneacetic acid methyl
METHYL2-(2-NITHROPHENYL)-ACETATE
2-(2-Nitrophenyl)acetic acid methyl
o-Nitrophenylacetic acid methyl ester
(2-Nitrophenyl)acetic acid, methyl ester
Benzeneaceticacid, 2-nitro-, Methyl ester
2-(2-nitrophenyl)acetic acid methyl ester
[Molecular Formula]

C9H9NO4
[MDL Number]

MFCD00968465
[MOL File]

30095-98-8.mol
[Molecular Weight]

195.17
Chemical PropertiesBack Directory
[Boiling point ]

112-115°/2mm
[storage temp. ]

Sealed in dry,Room Temperature
[Appearance]

Light yellow to brown Solid-Liquid Mixture
[InChI]

1S/C9H9NO4/c1-14-9(11)6-7-4-2-3-5-8(7)10(12)13/h2-5H,6H2,1H3
[SMILES]

O=[N+]([O-])C(C=CC=C1)=C1CC(OC)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H332-H302-H335-H315-H312-H319
[Precautionary statements ]

P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501
[HS Code ]

2915390090
Spectrum DetailBack Directory
[Spectrum Detail]

METHYL (2-NITRO-PHENYL)-ACETATE(30095-98-8)1HNMR
Hazard InformationBack Directory
[Synthesis]

2-Nitrophenylacetic acid

3740-52-1

METHYL (2-NITRO-PHENYL)-ACETATE

30095-98-8

General procedure for the synthesis of methyl (2-nitrophenyl)acetate from o-nitrophenylacetic acid: (A) Preparation of methyl 2-(2-nitrophenyl)acetate 2-(2-Nitrophenyl)acetic acid (5.06 g, 27.9 mmol) was dissolved in methanol (100 mL) and concentrated sulfuric acid (5 mL) was added slowly and dropwise. The reaction mixture was heated under reflux conditions for 16 hours. Upon completion of the reaction, the solvent was removed by evaporation and water was added to the residue, which was subsequently extracted with ethyl acetate. The organic layer was washed sequentially with saturated aqueous sodium bicarbonate and saturated brine and dried over anhydrous sodium sulfate. Evaporation of the solvent gave the title compound as a light orange oil (5.37 g, 99.0% yield). 1H-NMR (CDCl3) δ: 3.72 (3H, s), 4.03 (2H, s), 7.36 (1H, d, J = 7.3 Hz), 7.44-7.51 (1H, m), 7.57-7.63 (1H, m), 8.12 (1H, d, J = 7.8 Hz).

[References]

[1] Patent: EP1227084, 2002, A1
[2] Patent: CN106831436, 2017, A. Location in patent: Paragraph 0016; 0017; 0019
[3] Patent: US5240938, 1993, A
[4] Patent: US2005/101587, 2005, A9
[5] Angewandte Chemie - International Edition, 2012, vol. 51, # 2, p. 548 - 551
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