| Identification | More | [Name]
ETHYL 4-CHLORO-3-NITROBENZOATE | [CAS]
16588-16-2 | [Synonyms]
4-CHLORO-3-NITROBENZOIC ACID ETHYL ESTER
ETHYL 4-CHLORO-3-NITROBENZOATE
RARECHEM AL BI 0170 | [Molecular Formula]
C9H8ClNO4 | [MDL Number]
MFCD00219621 | [Molecular Weight]
229.62 | [MOL File]
16588-16-2.mol |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [HS Code ]
2921490090 |
| Hazard Information | Back Directory | [Chemical Properties]
pale yellow crystalline powder | [Synthesis]
Step 1: Preparation of ethyl 4-chloro-3-nitrobenzoate
4-Chloro-3-nitrobenzoic acid (300 g) was dissolved in ethanol (1500 mL) and concentrated sulfuric acid (100 mL) was added slowly under ice bath cooling. The reaction mixture was heated to reflux for 7 hours. After completion of the reaction, the mixture was poured into ice water and the precipitated crystals were collected by filtration to afford the target product ethyl 4-chloro-3-nitrobenzoate (332 g, 97% yield).
1H-NMR (300 MHz, CDCl3): δ 8.50 (1H, d, J = 2.1 Hz), 8.16 (1H, dd, J = 8.4, 2.1 Hz), 7.63 (1H, d, J = 8.4 Hz), 4.43 (2H, q, J = 7.5 Hz), 1.42 (3H, t, J = 7.5 Hz). | [References]
[1] Patent: US2003/50320, 2003, A1
[2] Patent: WO2004/29050, 2004, A1. Location in patent: Page 105;106
[3] Synthetic Communications, 2002, vol. 32, # 11, p. 1703 - 1707
[4] Patent: US6204264, 2001, B1 |
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