N′-(4-Ethoxycarbonylphenyl)-N-methyl-N-phenylformamidine
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N′-(4-Ethoxycarbonylphenyl)-N-methyl-N-phenylformamidine
structure -
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CAS No:
57834-33-0
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Formula:
C17H18N2O2
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Chemical Name:
N′-(4-Ethoxycarbonylphenyl)-N-methyl-N-phenylformamidine
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Synonyms:
Benzoic acid,4-[[(methylphenylamino)methylene]amino]-,ethyl ester;N′-(4-Ethoxycarbonylphenyl)-N-methyl-N-phenylformamidine;UV 1;UV 1 (Chinese UV absorber);Zikasorb R;Chisorb 971;1888294-48-1
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CAS No:
N′-(4-Ethoxycarbonylphenyl)-N-methyl-N-phenylformamidine Basic Attributes
282.34
282.34
260-976-0
DTXSID5069207
2924299090
Characteristics
41.9
3.4
light-yellowish liquid
1.1±0.1 g/cm3
188 °C @ Press: 0.1 Torr
206.0±29.3 °C
1.548
Safety Information
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (86.05%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P273, P301+P312, P314, P330, P391, and P501|Aggregated GHS information provided by 277 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
N′-(4-Ethoxycarbonylphenyl)-N-methyl-N-phenylformamidine Use and Manufacturing
165 g (1 mol) of ethyl p-aminobenzoate, 117.7 g (1.1 mol) of N-methylaniline, 10 g of p-toluenesulfonic acid, 200mL with toluene toluene added to the 1000mL reaction flask, stirred and warmed to 50-60 ° C, 2h dropwise 59.53g (1.1mol) formic acid(Content of 85percent), Heating to reflux reaction, continue to separate the generated water, the reaction of about 5h to stop water when there is no water. The reaction solution was distilled off with atmospheric toluene recovery agent, toluene was recovered, the remaining vacuum distillation reaction solution, A pale yellow viscous liquid N- (4-ethoxycarbonylphenyl) -N'-methyl-N'-phenyl formamidine 262g, yield 93percent, purity 99.4percent.A mixture of 165 g (1 mol) of ethyl p-aminobenzoate, 112.35 g (1.05 mol) of N-methylaniline, 159 g (1.5 mol) of trimethyl orthoformate and 10.2 g (0.1 mol) of a specific surface area of 137 m2 / g Γ-type activated alumina into the 500ml reaction flask, Stirring and heating to 50 ~ 60 , incubation reaction 2h. Open the vacuum pump, and gradually increase the vacuum, vacuum distillation of the resulting methanol, to no methanol distillation.The reaction solution was filtered while hot, the recovered active alumina was repeatedly used and the mother liquor was distilled under reduced pressure to give a pale yellow viscous liquid N- (4-ethoxycarbonylphenyl) -N'-methyl-N'-phenyl Formamidine 270 g, yield 95.7percent, purity 99.5percent.(4) 50.0 kg of NE obtained in step (3) was drawn into a reaction kettle, and 25.1 kg of N-methylaniline was drawn in and the temperature was raised to 100 ± 2 ° C for 15 h.After completion of the incubation, ethanol and N-methylaniline were distilled off under reduced pressure to obtain 62.6 kg of N- (4-ethoxycarbonylphenyl) -N'-methyl-N'-phenylformamidine. The yield was 99.0percent (HPLC) 98.0percent.The overall yield in four steps was 73.7percent.
Benzoic acid, 4-[[(methylphenylamino)methylene]amino]-, ethyl ester: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Computed Properties
Molecular Weight:282.34
XLogP3:3.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:282.136827821
Monoisotopic Mass:282.136827821
Topological Polar Surface Area:41.9
Heavy Atom Count:21
Complexity:343
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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N′-(4-Ethoxycarbonylphenyl)-N-methyl-N-phenylformamidine
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