ChemicalBook--->CAS DataBase List--->143665-37-6

143665-37-6

143665-37-6 Structure

143665-37-6 Structure
IdentificationBack Directory
[Name]

2-(3-Methyl-4-nitrophenyl)acetic acid
[CAS]

143665-37-6
[Synonyms]

3-Methyl-4-nitrophenylacetic acid
3-methyl-4-nitrobenzeneacetic acid
2-(3-Methyl-4-nitrophenyl)acetic acid
Benzeneacetic acid, 3-methyl-4-nitro-
5-(Carboxymethyl)-2-nitrotoluene, 4-(Carboxymethyl)-2-methylnitrobenzene
[Molecular Formula]

C9H9NO4
[MDL Number]

MFCD11036394
[MOL File]

143665-37-6.mol
[Molecular Weight]

195.17
Chemical PropertiesBack Directory
[Boiling point ]

377.0±27.0 °C(Predicted)
[density ]

1.346
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

solid
[pka]

3.86±0.10(Predicted)
[color ]

yellow
[InChI]

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

NUYOXESWWGUDLP-UHFFFAOYSA-N
[SMILES]

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

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

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

P260-P280-P312
[WGK Germany ]

WGK 3
[HS Code ]

2916399090
[Storage Class]

11 - Combustible Solids
Spectrum DetailBack Directory
[Spectrum Detail]

2-(3-Methyl-4-nitrophenyl)acetic acid(143665-37-6)1HNMR
Hazard InformationBack Directory
[Synthesis]

Propanedioic acid, 2-(3-methyl-4-nitrophenyl)-, 1,3-dimethyl ester

1350468-89-1

2-(3-Methyl-4-nitrophenyl)acetic acid

143665-37-6

Step 2. Synthesis of (3-methyl-4-nitrophenyl)acetic acid To a mixed solution of dimethyl (3-methyl-4-nitrophenyl) malonate (0.540 g, 2.02 mmol) in water (10 mL) and methanol (10 mL) was added potassium hydroxide (0.340 g, 6.06 mmol) at room temperature. The reaction mixture was refluxed for 4 hours. After completion of the reaction, it was cooled to room temperature and acidified with 2N aqueous hydrochloric acid solution (40 mL). The acidified solution was extracted with ethyl acetate (20 mL x 3). The organic layers were combined, dried with anhydrous magnesium sulfate, filtered, and concentrated under reduced pressure to give (3-methyl-4-nitrophenyl)acetic acid (0.480 g, quantitative yield) as an orange solid. The product was used directly in the next reaction without further purification. 1H NMR (CDCl3, 400 MHz) δ 7.97 (d, 1H), 7.28-7.26 (m, 2H), 3.71 (s, 2H), 2.61 (s, 3H).

[References]

[1] Patent: US2017/253569, 2017, A1. Location in patent: Paragraph 0257-0258
[2] Patent: WO2011/145022, 2011, A1. Location in patent: Page/Page column 68
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