| Identification | More | [Name]
2-(4-NITROPHENYL)PROPIONIC ACID | [CAS]
19910-33-9 | [Synonyms]
2-(4-NITROPHENYL)PROPANOIC ACID
2-(4-NITROPHENYL)PROPIONIC ACID
ALPHA-METHYL-4-NITROPHENYLACETIC ACID
RARECHEM AL BO 1487
2-(4-Nitrophenyl)propinoic acid
a-Methyl-4-nitrobenzene-aceticacid
2-(4-NITROPHENYL)PROPIONIC ACID 99+%
2-(4-NITROPHENYL)PROPANOIC ACID/NITROPHENYLPROPANOICACID
α-Methyl-4-nitrophenylacetic acid | [EINECS(EC#)]
243-423-8 | [Molecular Formula]
C9H9NO4 | [MDL Number]
MFCD00012106 | [Molecular Weight]
195.17 | [MOL File]
19910-33-9.mol |
| Chemical Properties | Back Directory | [Melting point ]
88-89 °C(lit.) | [Boiling point ]
361.9±25.0 °C(Predicted) | [density ]
1.337±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Chloroform, Ethanol | [form ]
Solid | [pka]
3.91±0.10(Predicted) | [color ]
Light Orange | [InChI]
InChI=1S/C9H9NO4/c1-6(9(11)12)7-2-4-8(5-3-7)10(13)14/h2-6H,1H3,(H,11,12) | [InChIKey]
RBSRRICSXWXMRC-UHFFFAOYSA-N | [SMILES]
C(C)(C(=O)O)C1=CC=C([N+]([O-])=O)C=C1 | [CAS DataBase Reference]
19910-33-9(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3 | [HS Code ]
2916399090 |
| Hazard Information | Back Directory | [Uses]
2-(4-Nitrophenyl)propionic acid may be used in chemical synthesis. | [Uses]
2-(4-Nitrophenyl)propionic acid is a reagent used in the preparation of α-Methylated analogs of triiodothyroalkanoic acids which have interactions with hepatic thyroid receptors. | [Synthesis]
Ethyl 2-(4-nitrophenyl)propionate (4.5 g, 20.17 mmol, 1.0 eq.) was used as raw material and dissolved in ethanol (40 ml). To this solution NaOH (1.614 g, 40.35 mmol, 2.0 eq.) and water (10 ml) were added. The reaction mixture was stirred at room temperature for 2 hours. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure and subsequently diluted with the addition of water. The pH of the reaction mixture was adjusted to acidic with dilute hydrochloric acid. The product was extracted with ethyl acetate, the organic layers were combined and dried over anhydrous sodium sulfate. The organic layer was concentrated under reduced pressure to give the crude product. Finally, the crude product was purified by column chromatography to give α-methyl-4-nitrophenylacetic acid (3.1 g, 78.8% yield). Mass spectrum (electrospray ionization): m/z 195.17 [M + H]+. | [References]
[1] Patent: US2016/251376, 2016, A1. Location in patent: Paragraph 0625; 0628; 0629 |
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| Company Name: |
Energy Chemical
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| Tel: |
021-021-58432009 400-005-6266 |
| Website: |
http://www.energy-chemical.com |
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