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5809-23-4

5809-23-4 Structure

5809-23-4 Structure
IdentificationMore
[Name]

2-(4-Diethylamino-2-hydroxybenzoyl)benzoic acid
[CAS]

5809-23-4
[Synonyms]

2-(4-DIETHYLAMINO-2-HYDROXYBENZOYL)BENZOIC ACID
2-HYDROXY-4-DIETHYLAMINO-2'-HYDROXYCARBONYLBENZOPHENONE
4-DIETHYLAMINO-2-HYDROXYBENZOPHENONE-2'-CARBOXYLIC ACID
2-[4-(diethyamino)-2-hydroxybenzoyl]benzoicacid
2-[4-(diethylamino)-2-hydroxybenzoyl]-benzoicaci
2-(4-DIETHYLAMINO-2-HYDROXYBENZOYL)BENZOIC ACID 98+%
2-Hydroxy-4-diethylamino-2'-carboxybenzophenone
[EINECS(EC#)]

227-370-8
[Molecular Formula]

C18H19NO4
[MDL Number]

MFCD00134669
[Molecular Weight]

313.35
[MOL File]

5809-23-4.mol
Chemical PropertiesBack Directory
[Melting point ]

180°C(dec.)(lit.)
[Boiling point ]

537.1±45.0 °C(Predicted)
[density ]

1?+-.0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Dimethylformamide
[form ]

powder to crystal
[pka]

3.27±0.36(Predicted)
[color ]

White to Light yellow to Light red
[InChI]

InChI=1S/C18H19NO4/c1-3-19(4-2)12-9-10-15(16(20)11-12)17(21)13-7-5-6-8-14(13)18(22)23/h5-11,20H,3-4H2,1-2H3,(H,22,23)
[InChIKey]

FQNKTJPBXAZUGC-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC=CC=C1C(=O)C1=CC=C(N(CC)CC)C=C1O
[CAS DataBase Reference]

5809-23-4(CAS DataBase Reference)
[EPA Substance Registry System]

5809-23-4(EPA Substance)
Safety DataBack Directory
[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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[HS Code ]

29163990
Hazard InformationBack Directory
[Uses]

2-(4-diethylamino-2-hydroxybenzoyl)benzoic acid could synthesize a novel fluorescent matrix, a hybrid (CzR) of carbazole, i.e. 2-hydroxycarbazole and rhodamine according to acid-promoted Friedel-Crafts acylation procedure with 2-hydroxycarbazole[1].
[Synthesis]

o-(4-Diethylamino-2-methoxybenzoyl)benzoic acid

59404-96-5

2-(4-Diethylamino-2-hydroxybenzoyl)benzoic acid

5809-23-4

To a stirred solution of compound 2 (1.0 eq.) in CH2Cl2 was slowly added a solution of BBr3 (1.9 eq.) in CH2Cl2 at -78 °C. After 1 hour of reaction, the mixture was slowly warmed to -25°C. Upon completion of the reaction, the reaction mixture was quenched with H2O and the solvent was subsequently evaporated to give the crude product. For compounds 3a to 3c, the pure product was obtained by recrystallization from MeOH/H2O solution as a yellow solid, while compound 3d was purified by silica gel column chromatography to give a yellow viscous oil. The 1H-NMR (CDCl3, 500 MHz) data for compound 3a (2-[4-(diethylamino)-2-hydroxybenzoyl]benzoic acid) were as follows: δ 12.65 (s, 1H), 8.07 (dd, 1H, J = 7.8, 0.9Hz), 7.58 (td, 1H, J = 7.6, 1.4Hz), 7.51 (td, 1H, J = 7.8, 1.4Hz), 7.51 (td, 1H, 1H, J = 7.6, 1.4Hz). J = 7.8, 1.4Hz), 7.34 (dd, 1H, J = 7.6, 1.1Hz), 6.91 (d, 1H, J = 8.9Hz), 6.11 (sd, 1H, J = 2.5Hz), 6.03 (dd, 1H, J = 9.2, 2.5Hz), 3.37 (q, 4H, J = 7.1Hz), 1.18 (t, 6H, J = 7.1 Hz).13C-NMR (CDCl3, 500 MHz) data were as follows: δ 199.0, 167.5, 165.2, 153.6, 140.6, 134.6, 131.6, 130.4, 129.5, 128.9, 127.6, 110.1, 103.5, 96.7, 124.5, 12.5. HRMS (EI) calculated value C19H21NO4 (M+): 313.1314, measured value: 313.1313. yield was 65%.

[References]

[1] Xiaojie Jiao . “A highly selective and pH-tolerance fluorescent probe for Cu2+ based on a novel carbazole-rhodamine hybrid dye.” Dyes and Pigments 160 (2019): Pages 633-640.
Spectrum DetailBack Directory
[Spectrum Detail]

2-(4-Diethylamino-2-hydroxybenzoyl)benzoic acid(5809-23-4)MS
2-(4-Diethylamino-2-hydroxybenzoyl)benzoic acid(5809-23-4)1HNMR
2-(4-Diethylamino-2-hydroxybenzoyl)benzoic acid(5809-23-4)13CNMR
2-(4-Diethylamino-2-hydroxybenzoyl)benzoic acid(5809-23-4)IR1
2-(4-Diethylamino-2-hydroxybenzoyl)benzoic acid(5809-23-4)IR2
Well-known Reagent Company Product InformationBack Directory
[TCI AMERICA]

2-(4-Diethylamino-2-hydroxybenzoyl)benzoic Acid,>98.0%(T)(5809-23-4)
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