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CAS No.: | 7451-55-0 |
---|---|
Name: | (4-METHOXY-PHENYL)-CARBAMIC ACID ETHYL ESTER |
Article Data: | 26 |
Molecular Structure: | |
Formula: | C10H13NO3 |
Molecular Weight: | 195.218 |
Synonyms: | Ethyl (4-methoxyphenyl)carbamate;Ethyl 4-methoxyphenylaminoformate;Ethyl N-(4-methoxyphenyl)carbamate; |
Density: | 1.152 g/cm3 |
Melting Point: | -60 °C |
Boiling Point: | 254.2 °C at 760 mmHg |
Flash Point: | 107.5 °C |
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The Carbamic acid,N-(4-methoxyphenyl)-,ethyl ester, with the CAS registry number of 7451-55-0, is also known as Ethyl 4-methoxyphenylaminoformate. The molecular formula of this chemical is C10H13NO3 and its molecular weight is 195.22. What's more, its IUPAC name is Ethyl N-(4-methoxyphenyl)carbamate.
Physical properties about Carbamic acid,N-(4-methoxyphenyl)-,ethyl ester are: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.92; (4)ACD/LogD (pH 7.4): 1.92; (5)ACD/BCF (pH 5.5): 16.81; (6)ACD/BCF (pH 7.4): 16.81; (7)ACD/KOC (pH 5.5): 262.39; (8)ACD/KOC (pH 7.4): 262.4; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 53.58 cm3; (15)Molar Volume: 169.3 cm3; (16)Polarizability: 21.24×10-24 cm3; (17)Surface Tension: 40.4 dyne/cm; (18)Density: 1.152 g/cm3; (19)Flash Point: 107.5 °C; (20)Enthalpy of Vaporization: 49.16 kJ/mol; (21)Boiling Point: 254.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0175 mmHg at 25 °C.
Preparation of Carbamic acid,N-(4-methoxyphenyl)-,ethyl ester: this chemical is prepared by reaction of Carbonochloridic acid ethyl ester with 4-Methoxy-aniline at ambient temperature. The reaction needs reagent Zn and solvent Benzene. The reaction time is 9 minutes. The yield is about 96 %.
Uses of Carbamic acid,N-(4-methoxyphenyl)-,ethyl ester: it is used to produce other chemicals. For example, it can react with 1-Bromo-3,3-dimethyl-butan-2-one to produce 5-tert-Butyl-3-(4-methoxy-phenyl)-3H-oxazol-2-one at ambient temperature. This reaction needs reagent LiN(TMS)2. Meanwhile, it needs solvents Tetrahydrofuran and Dimethylformamide. The reaction time is 1 hour. The yield is about 89.7 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)Nc1ccc(OC)cc1
(2) InChI: InChI=1/C10H13NO3/c1-3-14-10(12)11-8-4-6-9(13-2)7-5-8/h4-7H,3H2,1-2H3,(H,11,12)
(3) InChIKey: KUGFZNSGTFZXML-UHFFFAOYAD