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| CAS No.: | 302776-68-7 |
|---|---|
| Name: | DIETHYLAMINO HYDROXYBENZOYL HEXYL BENZOATE |
| Article Data: | 38 |
| Molecular Structure: | |
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| Formula: | C24H31NO4 |
| Molecular Weight: | 397.514 |
| Synonyms: | Hexyl2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate;Uvinul A Plus;n-Hexyl2-(4-Diethylamino-2-hydroxybenzoyl)benzoate;hexyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate;benzoic acid, 2-[4-(diethylamino)-2-hydroxybenzoyl]-, hexyl ester;Hexyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate; |
| EINECS: | 443-860-6 |
| Density: | 1.112 g/cm3 |
| Boiling Point: | 524.789 °C at 760 mmHg |
| Flash Point: | 271.183 °C |
| Solubility: | 16μg/L at 20℃ |
| Risk Codes: | 53 |
| Safety: | 61 |
| PSA: | 66.84000 |
| LogP: | 5.20650 |
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- 24539-57-9
mono-n-hexyl phthalate
- 91-68-9
3-diethylaminophenol
- 302776-68-7
n-hexyl 2-(4-diethylamino-2-hydroxybenzoyl)benzoate
| Conditions | Yield |
|---|---|
| With zinc(II) chloride; trichlorophosphate In dimethyl sulfoxide at 20 - 50℃; for 5h; Solvent; Temperature; | 95% |
- 544-10-5
1-Chlorohexane
- 5809-23-4
2'-Carboxy-4-diethylamino-2-hydroxybenzophenon
- 302776-68-7
n-hexyl 2-(4-diethylamino-2-hydroxybenzoyl)benzoate
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide at 100 - 110℃; for 4h; Large scale; | 86% |
- 6257-44-9
dihexyl sulfite
- 5809-23-4
2'-Carboxy-4-diethylamino-2-hydroxybenzophenon
- 302776-68-7
n-hexyl 2-(4-diethylamino-2-hydroxybenzoyl)benzoate
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide at 100 - 110℃; for 4h; Large scale; | 80% |
- 7722-57-8
dihexyl sulfate
- 5809-23-4
2'-Carboxy-4-diethylamino-2-hydroxybenzophenon
- 302776-68-7
n-hexyl 2-(4-diethylamino-2-hydroxybenzoyl)benzoate
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide at 100 - 110℃; for 4h; Large scale; | 78% |
- 111-25-1
1-bromo-hexane
- 5809-23-4
2'-Carboxy-4-diethylamino-2-hydroxybenzophenon
- 302776-68-7
n-hexyl 2-(4-diethylamino-2-hydroxybenzoyl)benzoate
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide at 100 - 110℃; for 4h; Large scale; | 65% |
- 16156-50-6
n-hexyl methanesulfonate
- 5809-23-4
2'-Carboxy-4-diethylamino-2-hydroxybenzophenon
- 302776-68-7
n-hexyl 2-(4-diethylamino-2-hydroxybenzoyl)benzoate
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide at 100 - 110℃; for 4h; Large scale; | 52.4% |
- 3839-35-8
4-methylbenzenesulfonic acid n-hexylester
- 5809-23-4
2'-Carboxy-4-diethylamino-2-hydroxybenzophenon
- 302776-68-7
n-hexyl 2-(4-diethylamino-2-hydroxybenzoyl)benzoate
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide at 100 - 110℃; for 4h; Large scale; | 47.6% |
- 91-68-9
3-diethylaminophenol
- 302776-68-7
n-hexyl 2-(4-diethylamino-2-hydroxybenzoyl)benzoate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: toluene / 2 h / 110 - 115 °C / Large scale 2: potassium carbonate / N,N-dimethyl-formamide / 4 h / 100 - 110 °C / Large scale View Scheme | |
| Multi-step reaction with 2 steps 1: toluene / 2 h / 110 - 115 °C / Large scale 2: potassium carbonate / N,N-dimethyl-formamide / 4 h / 100 - 110 °C / Large scale View Scheme | |
| Multi-step reaction with 2 steps 1: toluene / 2 h / 110 - 115 °C / Large scale 2: potassium carbonate / N,N-dimethyl-formamide / 4 h / 100 - 110 °C / Large scale View Scheme |
- 85-44-9
phthalic anhydride
- 302776-68-7
n-hexyl 2-(4-diethylamino-2-hydroxybenzoyl)benzoate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: toluene / 2 h / 110 - 115 °C / Large scale 2: potassium carbonate / N,N-dimethyl-formamide / 4 h / 100 - 110 °C / Large scale View Scheme | |
| Multi-step reaction with 2 steps 1: toluene / 2 h / 110 - 115 °C / Large scale 2: potassium carbonate / N,N-dimethyl-formamide / 4 h / 100 - 110 °C / Large scale View Scheme | |
| Multi-step reaction with 2 steps 1: toluene / 2 h / 110 - 115 °C / Large scale 2: potassium carbonate / N,N-dimethyl-formamide / 4 h / 100 - 110 °C / Large scale View Scheme |
- 111-27-3
hexan-1-ol
- 302776-68-7
n-hexyl 2-(4-diethylamino-2-hydroxybenzoyl)benzoate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: triethylamine / dichloromethane / 3 h / 10 °C / Large scale 2: potassium carbonate / N,N-dimethyl-formamide / 4 h / 100 - 110 °C / Large scale View Scheme | |
| Multi-step reaction with 2 steps 1: triethylamine / dichloromethane / 6 h / 10 °C / Large scale 2: potassium carbonate / N,N-dimethyl-formamide / 4 h / 100 - 110 °C / Large scale View Scheme | |
| Multi-step reaction with 2 steps 1: thionyl chloride / N,N-dimethyl-formamide / 5 h / 30 - 90 °C / Large scale 2: potassium carbonate / N,N-dimethyl-formamide / 4 h / 100 - 110 °C / Large scale View Scheme | |
| Multi-step reaction with 2 steps 1: thionyl chloride / N,N-dimethyl-formamide / 8 h / 30 - 40 °C / Large scale 2: potassium carbonate / N,N-dimethyl-formamide / 4 h / 100 - 110 °C / Large scale View Scheme | |
| Multi-step reaction with 2 steps 1: phosphorus tribromide / tetrahydrofuran / 3 h / 10 °C / Large scale 2: potassium carbonate / N,N-dimethyl-formamide / 4 h / 100 - 110 °C / Large scale View Scheme |
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Specification
The Benzoic acid,2-[4-(diethylamino)-2-hydroxybenzoyl]-, hexyl ester, with the CAS registry number 302776-68-7, has the systematic name of hexyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate. And the molecular formula of this chemical is C24H31NO4.
The physical properties of Benzoic acid,2-[4-(diethylamino)-2-hydroxybenzoyl]-, hexyl ester are as followings: (1)ACD/LogP: 6.86; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 7; (5)ACD/BCF (pH 5.5): 107803; (6)ACD/BCF (pH 7.4): 61727; (7)ACD/KOC (pH 5.5): 138846; (8)ACD/KOC (pH 7.4): 79502; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 66.84 Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 116.444 cm3; (15)Molar Volume: 357.409 cm3; (16)Polarizability: 46.162×10-24cm3; (17)Surface Tension: 45.31 dyne/cm; (18)Density: 1.112 g/cm3; (19)Flash Point: 271.183 °C; (20)Enthalpy of Vaporization: 82.883 kJ/mol; (21)Boiling Point: 524.789 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(cc1O)N(CC)CC)c2ccccc2C(=O)OCCCCCC
(2)InChI: InChI=1/C24H31NO4/c1-4-7-8-11-16-29-24(28)20-13-10-9-12-19(20)23(27)21-15-14-18(17-22(21)26)25(5-2)6-3/h9-10,12-15,17,26H,4-8,11,16H2,1-3H3
(3)InChIKey: FDATWRLUYRHCJE-UHFFFAOYAR