Product Name

  • Name

    Ethyl 4-[[(methylphenylamino)methylene]amino]benzoate

  • EINECS 260-976-0
  • CAS No. 57834-33-0
  • Article Data8
  • CAS DataBase
  • Density 1.05 g/cm3
  • Solubility 34.7mg/L at 20℃
  • Melting Point
  • Formula C17H18N2O2
  • Boiling Point 416.9 °C at 760 mmHg
  • Molecular Weight 282.342
  • Flash Point 206 °C
  • Transport Information
  • Appearance light-yellowish liquid
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 57834-33-0 (Ethyl 4-[[(methylphenylamino)methylene]amino]benzoate)
  • Hazard Symbols
  • Synonyms N'-(4-Ethoxycarbonylphenyl)-N-methyl-N-phenylformamidine;UV 1 (Chinese UV absorber);Zikasorb R;
  • PSA 41.90000
  • LogP 3.65950

Synthetic route

N-methyl-N-phenylformamide
93-61-8

N-methyl-N-phenylformamide

p-aminoethylbenzoate
94-09-7

p-aminoethylbenzoate

N-(4-ethoxycarbonylphenyl)-N'-methyl-N'-phenylformamidine
57834-33-0

N-(4-ethoxycarbonylphenyl)-N'-methyl-N'-phenylformamidine

Conditions
ConditionsYield
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
5100-21-0

4-benzoesaure-ethylester

N-methylaniline
100-61-8

N-methylaniline

N-(4-ethoxycarbonylphenyl)-N'-methyl-N'-phenylformamidine
57834-33-0

N-(4-ethoxycarbonylphenyl)-N'-methyl-N'-phenylformamidine

Conditions
ConditionsYield
at 100℃; for 15h;98%
p-aminoethylbenzoate
94-09-7

p-aminoethylbenzoate

N-methylaniline
100-61-8

N-methylaniline

trimethyl orthoformate
149-73-5

trimethyl orthoformate

N-(4-ethoxycarbonylphenyl)-N'-methyl-N'-phenylformamidine
57834-33-0

N-(4-ethoxycarbonylphenyl)-N'-methyl-N'-phenylformamidine

Conditions
ConditionsYield
With acetic acid In Petroleum ether at 50 - 65℃; for 2.25h; Catalytic behavior; Temperature; Green chemistry;98%
...Expand
orthoformic acid triethyl ester
122-51-0

orthoformic acid triethyl ester

p-aminoethylbenzoate
94-09-7

p-aminoethylbenzoate

N-methylaniline
100-61-8

N-methylaniline

N-(4-ethoxycarbonylphenyl)-N'-methyl-N'-phenylformamidine
57834-33-0

N-(4-ethoxycarbonylphenyl)-N'-methyl-N'-phenylformamidine

Conditions
ConditionsYield
With aluminum oxide at 50 - 60℃; for 2h; Concentration;95.7%
...Expand
formic acid
64-18-6

formic acid

p-aminoethylbenzoate
94-09-7

p-aminoethylbenzoate

N-methylaniline
100-61-8

N-methylaniline

N-(4-ethoxycarbonylphenyl)-N'-methyl-N'-phenylformamidine
57834-33-0

N-(4-ethoxycarbonylphenyl)-N'-methyl-N'-phenylformamidine

Conditions
ConditionsYield
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%
...Expand
4-nitro-benzoic acid
62-23-7

4-nitro-benzoic acid

N-(4-ethoxycarbonylphenyl)-N'-methyl-N'-phenylformamidine
57834-33-0

N-(4-ethoxycarbonylphenyl)-N'-methyl-N'-phenylformamidine

Conditions
ConditionsYield
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

Ethyl 4-[[(methylphenylamino)methylene]amino]benzoate Specification

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

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View