| Identification | More | [Name]
4-Morpholinobenzoic acid | [CAS]
7470-38-4 | [Synonyms]
4-MORPHOLIN-4-YL-BENZOIC ACID
4-MORPHOLINOBENZENECARBOXYLIC ACID
4-MORPHOLINOBENZOIC ACID
4-(N-MORPHOLINO)-BENZOIC ACID
AKOS B022043
ART-CHEM-BB B022043
BUTTPARK 98\50-28
CHEMBRDG-BB 4400213
OTAVA-BB BB5300270008
RARECHEM AL BE 1130
TIMTEC-BB SBB007143
4-(4-Morpholinyl)benzoic Acid
4-MORPHOLIN-4-YL-BENZOIC ACID 95% | [Molecular Formula]
C11H13NO3 | [MDL Number]
MFCD00588379 | [Molecular Weight]
207.23 | [MOL File]
7470-38-4.mol |
| Chemical Properties | Back Directory | [Melting point ]
278 °C | [Boiling point ]
413.2±40.0 °C(Predicted) | [density ]
1.253±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C | [form ]
powder to crystal | [pka]
4.70±0.10(Predicted) | [color ]
White to Almost white | [Water Solubility ]
Slightly soluble in water. | [Sensitive ]
Moisture & Light Sensitive | [InChI]
1S/C11H13NO3/c13-11(14)9-1-3-10(4-2-9)12-5-7-15-8-6-12/h1-4H,5-8H2,(H,13,14) | [InChIKey]
XVAJKPNTGSKZSQ-UHFFFAOYSA-N | [SMILES]
OC(=O)c1ccc(cc1)N2CCOCC2 | [CAS DataBase Reference]
7470-38-4(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 | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
2934999090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral |
| Hazard Information | Back Directory | [Uses]
4-(4-Morpholinyl)benzoic acid, is used as an intermediate in organic synthesis. The water based additive is used in a variety of applications as a heat-sealing and anti-blocking agent. | [Definition]
ChEBI: 4-morpholinobenzoic acid is a member of morpholines. | [Synthesis]
Example 1: Preparation of 4-(4-morpholinyl)benzoic acid by alkaline hydrolysis one-pot method using ethyl 4-fluorobenzoate and morpholine as raw materials. The procedure was as follows: ethyl 4-fluorobenzoate (3.5 g, 21 mmol) was mixed with morpholine (6.2 g, 70 mmol), and the reaction was heated at 130 °C for 12 hours until the ethyl 4-fluorobenzoate was completely converted. Subsequently, water (15 mL) and 20% NaOH solution (10 mL) were added to the reaction mixture and refluxing was continued for 3.5 hours. Upon completion of the reaction, the mixture was cooled to room temperature and acidified by adding 5% HCl solution with effective stirring. The precipitate was collected by filtration, washed with water and dried under vacuum at 60 °C to afford 4-morpholino benzoic acid (3.9 g) in 90% yield, melting point 275-277 °C. Mass spectrometric analysis showed the molecular ion peaks m/z 207 (100, M+).1H NMR (DMSO-d6) δ: 12.33 (br s, 1H), 7.78 (d, J=8.5 Hz. 2H), 6.95 (d, J=8.5 Hz, 2H), 3.72 (t, J=4.5 Hz, 2H), 3.23 (t, J=4.5 Hz, 2H).13C NMR (CDCl3) δ: 167.25, 153.90, 130.81, 119.91, 113.22, 65.87, 46.97. | [References]
[1] Patent: US2003/171581, 2003, A1 |
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