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20876-29-3

20876-29-3 Structure

20876-29-3 Structure
IdentificationBack Directory
[Name]

(5-METHOXY-2-NITRO-PHENYL)-ACETIC ACID
[CAS]

20876-29-3
[Synonyms]

5-Methoxy-2-nitrobenzeneacetic acid
2-(5-methoxy-2-nitrophenyl)aceticaci
(5-METHOXY-2-NITRO-PHENYL)-ACETIC ACID
Benzeneacetic acid, 5-Methoxy-2-nitro-
(5-Methoxy-2-nitro-phenyl)-acetic acid ,97%
[Molecular Formula]

C9H9NO5
[MDL Number]

MFCD00047735
[MOL File]

20876-29-3.mol
[Molecular Weight]

211.17
Chemical PropertiesBack Directory
[Melting point ]

176 °C
[Boiling point ]

404.7±30.0 °C(Predicted)
[density ]

1.382±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

3.83±0.10(Predicted)
[Appearance]

White to off-white Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Synthesis Reference(s)]

Journal of the American Chemical Society, 77, p. 670, 1955 DOI: 10.1021/ja01608a039
[Synthesis]

(5-METHOXY-2-NITRO-PHENYL)-ACETONITRILE

89302-15-8

(5-METHOXY-2-NITRO-PHENYL)-ACETIC ACID

20876-29-3

General procedure for the synthesis of 2-nitro-5-methoxyphenylacetic acid from 5-methoxy-2-nitrophenylacetonitrile: 1 equivalent of 5-methoxy-2-nitrophenylacetonitrile was dissolved in a mixture of acetic acid (AcOH) and concentrated hydrochloric acid (HCl) (1:5, v/v), and the reaction mixture was heated for 4 hr under reflux conditions. Upon completion of the reaction, the target product 2-nitro-5-methoxyphenylacetic acid was extracted with ethyl acetate and the organic phase was dried with anhydrous sodium sulfate (Na2SO4), followed by removal of solvent by rotary evaporator to give the product.

[References]

[1] Tetrahedron Letters, 2014, vol. 56, # 1, p. 89 - 94
[2] Bioorganic and Medicinal Chemistry, 2010, vol. 18, # 4, p. 1482 - 1496
Spectrum DetailBack Directory
[Spectrum Detail]

(5-METHOXY-2-NITRO-PHENYL)-ACETIC ACID(20876-29-3)MS
(5-METHOXY-2-NITRO-PHENYL)-ACETIC ACID(20876-29-3)1HNMR
(5-METHOXY-2-NITRO-PHENYL)-ACETIC ACID(20876-29-3)IR1
(5-METHOXY-2-NITRO-PHENYL)-ACETIC ACID(20876-29-3)IR2
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