ChemicalBook--->CAS DataBase List--->89942-77-8

89942-77-8

89942-77-8 Structure

89942-77-8 Structure
IdentificationBack Directory
[Name]

METHYL 3-HYDROXY-2-NITROBENZOATE
[CAS]

89942-77-8
[Synonyms]

METHYL 3-HYDROXY-2-NITROBENZOATE
3-Hydroxy-2-nitro-benzoic acid methyl ester
Benzoic acid, 3-hydroxy-2-nitro-, methyl ester
3-(Methoxycarbonyl)-2-nitrophenol, 2-Hydroxy-6-(methoxycarbonyl)nitrobenzene
[Molecular Formula]

C8H7NO5
[MDL Number]

MFCD09951956
[MOL File]

89942-77-8.mol
[Molecular Weight]

197.14
Chemical PropertiesBack Directory
[Melting point ]

108-110℃
[Boiling point ]

310.0±22.0 °C(Predicted)
[density ]

1.432±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[form ]

solid
[pka]

6.38±0.10(Predicted)
[color ]

Off white
[InChI]

InChI=1S/C8H7NO5/c1-14-8(11)5-3-2-4-6(10)7(5)9(12)13/h2-4,10H,1H3
[InChIKey]

FHCNMPYMCKHBTK-UHFFFAOYSA-N
[SMILES]

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

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314-H227-H290
[Precautionary statements ]

P501-P210-P234-P264-P280-P370+P378-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P406-P405
[HS Code ]

2918290090
Spectrum DetailBack Directory
[Spectrum Detail]

METHYL 3-HYDROXY-2-NITROBENZOATE(89942-77-8)1HNMR
Hazard InformationBack Directory
[Synthesis]

3-Hydroxy-2-nitrobenzoic acid

602-00-6

METHYL 3-HYDROXY-2-NITROBENZOATE

89942-77-8

Sulfoxide chloride (SOCl2, 0.6 mL) was slowly added dropwise to anhydrous methanol (MeOH, 10 mL) at 0 °C. The reaction mixture was stirred continuously for 0.5 h at this temperature. Subsequently, 3-hydroxy-2-nitrobenzoic acid (0.6 g, 3.2 mmol) was added to the mixture. The reaction system was heated to reflux and maintained for 4 hours. The progress of the reaction was monitored by thin layer chromatography (TLC, unfolding agent ratio of petroleum ether: ethyl acetate = 1:1) to confirm the completion of the reaction. After completion of the reaction, the mixture was concentrated under vacuum to afford the target product methyl 2-nitro-3-hydroxybenzoate (0.63 g, 100% yield) as a brown solid.

[References]

[1] Patent: WO2007/125405, 2007, A2. Location in patent: Page/Page column 24; 72-73
[2] Nippon Kagaku Zasshi, 1953, vol. 74, p. 251
[3] Chem.Abstr., 1954, p. 3959
[4] Patent: US2002/52397, 2002, A1
[5] Patent: US5756510, 1998, A
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