3-(3-Nitrophenyl)propionic acid
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3-(3-Nitrophenyl)propionic acid
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CAS No:
1664-57-9
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Formula:
C9H9NO4
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Chemical Name:
3-(3-Nitrophenyl)propionic acid
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Synonyms:
3-(3-NITROPHENYL)PROPIONIC ACID;3-(3-NITROPENYL)PROPIONIC ACID;3-(3-Nitrophenyl)propanoic acid;3-(3-Nitrophenyl)propionic acid ,98%;3-Nitro-benzenepropanoic acid;3-(3-Nitrophenyl)propionic Acid, 97+%;m-Nitrohydrocinnamic acid;1664-57-9
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CAS No:
Characteristics
83.1
1.8
1.343±0.06 g/cm3(Predicted)
110-112°C
379.4±17.0 °C(Predicted)
168.9±9.4 °C
1.583
1.97E-06mmHg at 25°C
Safety Information
CORROSIVE
36/37/38
26-36/37/39
C
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-(3-Nitrophenyl)propionic acid Use and Manufacturing
General procedure: NEt3 (56.6 g, 0.56 mol) was added dropwise to stirred formicacid (64.4 g, 1.4 mol) at 5 8C. To the resulting reagent were addedDMF (150 ml), Meldrum’s acid (57.6 g, 0.4 mol) and aldehyde 2a–c(60.4 g, 0.4 mol). The reaction mixture was heated at reflux for 4 h.The solvent was evaporated under vacuum.The residue was triturated with water (1000 ml) and acidifiedwith conc. aq HCl to pH = 2. The formed product was filtered off, dried on air, and crystallized from EtOAc (3a) or CCl4 (3b, c) toobtain the pure material.To a solution of Intermediate 79 (48.76 g, 0.23 mol) in ethanol (50 mL) was added sodium hydroxide 2N (400 mL).
Computed Properties
Molecular Weight:195.17
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:195.05315777
Monoisotopic Mass:195.05315777
Topological Polar Surface Area:83.1
Heavy Atom Count:14
Complexity:223
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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