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| CAS No.: | 5809-23-4 |
|---|---|
| Name: | 2-(4-Diethylamino-2-hydroxybenzoyl)benzoic acid |
| Molecular Structure: | |
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| Formula: | C18H19NO4 |
| Molecular Weight: | 313.353 |
| Synonyms: | 2-{[4-(diethylamino)-2-hydroxyphenyl]carbonyl}benzoic acid;4-Diethylamino-2-hydroxybenzophenone-2'carboxylic acid;2-(4-(Diethylamino)-2-hydroxybenzoyl)benzoic acid;Benzoic acid, 2-(4-(diethylamino)-2-hydroxybenzoyl)-;Benzoic acid, o-(4-(diethylamino)salicyloyl)-; |
| EINECS: | 227-370-8 |
| Density: | 1.256 g/cm3 |
| Melting Point: | 180°C(dec.)(lit.) |
| Boiling Point: | 537.143 °C at 760 mmHg |
| Flash Point: | 278.654 °C |
| Appearance: | light colored powder |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 77.84000 |
| LogP: | 3.16760 |
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- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 85-44-9
phthalic anhydride
- 91-68-9
3-diethylaminophenol
- 5809-23-4
2'-Carboxy-4-diethylamino-2-hydroxybenzophenon
| Conditions | Yield |
|---|---|
| Stage #1: phthalic anhydride; 3-diethylaminophenol In toluene Reflux; Stage #2: With sodium hydroxide In water; toluene Reflux; | 98% |
| Stage #1: phthalic anhydride; 3-diethylaminophenol In toluene Inert atmosphere; Reflux; Stage #2: With sodium hydroxide In toluene at 50 - 90℃; for 6h; Inert atmosphere; | 98% |
| In toluene at 60 - 150℃; for 2h; Temperature; Solvent; | 96.3% |
- 59404-96-5
4-diethylamino-2-methoxy-2'-carboxybenzophenone
- 5809-23-4
2'-Carboxy-4-diethylamino-2-hydroxybenzophenon
| Conditions | Yield |
|---|---|
| Stage #1: 4-diethylamino-2-methoxy-2'-carboxybenzophenone With boron tribromide In dichloromethane at -78 - -25℃; Stage #2: With water In dichloromethane | 65% |
| Stage #1: 4-diethylamino-2-methoxy-2'-carboxybenzophenone With boron tribromide In dichloromethane at -78 - -25℃; Stage #2: With water In dichloromethane | 65% |
- 85-44-9
phthalic anhydride
- 108-88-3
toluene
- 91-68-9
3-diethylaminophenol
- 5809-23-4
2'-Carboxy-4-diethylamino-2-hydroxybenzophenon
| Conditions | Yield |
|---|---|
| beim Schmelzen; |
- 5809-23-4
2'-Carboxy-4-diethylamino-2-hydroxybenzophenon
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water; toluene at 90℃; |
- 85-44-9
phthalic anhydride
- 35478-71-8
N,N-diethylaminophenol
- 5809-23-4
2'-Carboxy-4-diethylamino-2-hydroxybenzophenon
| Conditions | Yield |
|---|---|
| In toluene |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: aluminum (III) chloride / dichloromethane / 4 h / 0 °C / Inert atmosphere 1.2: 0.17 h 2.1: boron tribromide / dichloromethane / -78 - -25 °C View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: aluminum (III) chloride / dichloromethane / 4 h / 0 °C / Inert atmosphere 1.2: 0.17 h 2.1: boron tribromide / dichloromethane / -78 - -25 °C View Scheme |
| Conditions | Yield |
|---|---|
| With potassium hydroxide In water at 105℃; for 8h; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: sodium carbonate / ethanol / 72 h / 20 °C 2: toluene / 10 h / 110 °C View Scheme |
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Specification
The 2-(4-Diethylamino-2-hydroxybenzoyl)benzoic acid, with the CAS registry number 5809-23-4 and EINECS registry number 227-370-8, is also called 4-Diethylamino-2-hydroxybenzophenone-2'carboxylic acid. It belongs to the following product categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. And the molecular formula of this chemical is C18H19NO4. What's more, it is usually for producing heat-sensitive dye.
The physical properties of 2-(4-Diethylamino-2-hydroxybenzoyl)benzoic acid are as followings: (1)ACD/LogP: 3.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.83; (4)ACD/LogD (pH 7.4): 0.73; (5)ACD/BCF (pH 5.5): 4.42; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24.76; (8)ACD/KOC (pH 7.4): 1.97; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 88.43 cm3; (15)Molar Volume: 249.5 cm3; (16)Polarizability: 35.05×10-24cm3; (17)Surface Tension: 57 dyne/cm; (18)Density: 1.255 g/cm3; (19)Flash Point: 278.7 °C; (20)Enthalpy of Vaporization: 85.67 kJ/mol; (21)Boiling Point: 537.1 °C at 760 mmHg; (22)Vapour Pressure: 2.28E-12 mmHg at 25°C.
Uses of 2-(4-Diethylamino-2-hydroxybenzoyl)benzoic acid: It can react with cyclohexanone to produce 9-(2-carboxy-phenyl)-6-diethylamino-1,2,3,4-tetrahydro-xanthenylium; perchlorate. This reaction will need reagents H2SO4 and aq. perchloric acid. The reaction temperature is 90°C, and the yield is about 67%.
benzoic acid.jpg)
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(cc1O)N(CC)CC)c2ccccc2C(=O)O
(2)InChI: InChI=1/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)
(3)InChIKey: FQNKTJPBXAZUGC-UHFFFAOYAD