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CAS No.: | 57834-33-0 |
---|---|
Name: | Ethyl 4-[[(methylphenylamino)methylene]amino]benzoate |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C17H18N2O2 |
Molecular Weight: | 282.342 |
Synonyms: | N'-(4-Ethoxycarbonylphenyl)-N-methyl-N-phenylformamidine;UV 1 (Chinese UV absorber);Zikasorb R; |
EINECS: | 260-976-0 |
Density: | 1.05 g/cm3 |
Boiling Point: | 416.9 °C at 760 mmHg |
Flash Point: | 206 °C |
Solubility: | 34.7mg/L at 20℃ |
Appearance: | light-yellowish liquid |
PSA: | 41.90000 |
LogP: | 3.65950 |
N-methyl-N-phenylformamide
p-aminoethylbenzoate
N-(4-ethoxycarbonylphenyl)-N'-methyl-N'-phenylformamidine
Conditions | Yield |
---|---|
With thionyl chloride In toluene at 20℃; for 19.5h; Reagent/catalyst; | 99.4% |
In water; toluene for 5h; Solvent; Reflux; | 92.2% |
4-benzoesaure-ethylester
N-methylaniline
N-(4-ethoxycarbonylphenyl)-N'-methyl-N'-phenylformamidine
Conditions | Yield |
---|---|
at 100℃; for 15h; | 98% |
p-aminoethylbenzoate
N-methylaniline
trimethyl orthoformate
N-(4-ethoxycarbonylphenyl)-N'-methyl-N'-phenylformamidine
Conditions | Yield |
---|---|
With acetic acid In Petroleum ether at 50 - 65℃; for 2.25h; Catalytic behavior; Temperature; Green chemistry; | 98% |
orthoformic acid triethyl ester
p-aminoethylbenzoate
N-methylaniline
N-(4-ethoxycarbonylphenyl)-N'-methyl-N'-phenylformamidine
Conditions | Yield |
---|---|
With aluminum oxide at 50 - 60℃; for 2h; Concentration; | 95.7% |
formic acid
p-aminoethylbenzoate
N-methylaniline
N-(4-ethoxycarbonylphenyl)-N'-methyl-N'-phenylformamidine
Conditions | Yield |
---|---|
Stage #1: p-aminoethylbenzoate; N-methylaniline With toluene-4-sulfonic acid In toluene at 50 - 60℃; for 2h; Green chemistry; Stage #2: formic acid In toluene for 5h; Reflux; Green chemistry; | 93% |
4-nitro-benzoic acid
N-(4-ethoxycarbonylphenyl)-N'-methyl-N'-phenylformamidine
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1.1: sulfuric acid / 6 h / 80 °C / Large scale 1.2: 80 °C / 4500.45 Torr / Large scale 2.1: 1 h / 90 - 140 °C / Large scale 3.1: 15 h / 100 °C View Scheme |
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The IUPAC name of Ethyl 4-[[(methylphenylamino)methylene]amino]benzoate is ethyl 4-[(N-methylanilino)methylideneamino]benzoate. With the CAS registry number 57834-33-0, it is also named as N-(Ethoxycarbonylphenyl)-N'-methyl-N'-phenyl formamidine. The product's categories are Catalysts and Additives; UV Absorbers. In addition, its molecular formula is C17H18N2O2 and its molecular weight is 282.34. Besides, this chemical is an efficient uvioresistant additive which is used in the materials such as polyurethane, adhesives and foams.
The other characteristics of Ethyl 4-[[(methylphenylamino)methylene]amino]benzoate can be summarized as: (1)EINECS: 260-976-0; (2)ACD/LogP: 4.34; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 2.99; (5)ACD/LogD (pH 7.4): 4.21; (6)ACD/BCF (pH 5.5): 52.3; (7)ACD/BCF (pH 7.4): 872.32; (8)ACD/KOC (pH 5.5): 244.33; (9)ACD/KOC (pH 7.4): 4075.64; (10)#H bond acceptors: 4; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 5; (13)Polar Surface Area: 41.9 Å2; (14)Index of Refraction: 1.547; (15)Molar Refractivity: 84.67 cm3; (16)Molar Volume: 266.8 cm3; (17)Polarizability: 33.56×10-24cm3; (18)Surface Tension: 38.5 dyne/cm; (19)Density: 1.05 g/cm3; (20)Flash Point: 206 °C; (21)Enthalpy of Vaporization: 67.03 kJ/mol; (22)Boiling Point: 416.9 °C at 760 mmHg; (23)Vapour Pressure: 3.68E-07 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OCC)c2ccc(/N=C/N(c1ccccc1)C)cc2
(2)InChI: InChI=1/C17H18N2O2/c1-3-21-17(20)14-9-11-15(12-10-14)18-13-19(2)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3/b18-13+
(3)InChIKey: GNGYPJUKIKDJQT-QGOAFFKABW
(4)Std. InChI: InChI=1S/C17H18N2O2/c1-3-21-17(20)14-9-11-15(12-10-14)18-13-19(2)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3/b18-13+
(5)Std. InChIKey: GNGYPJUKIKDJQT-QGOAFFKASA-N