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Ethyl 2-amino-4,5-dimethoxybenzoate

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Name

Ethyl 2-amino-4,5-dimethoxybenzoate

EINECS 243-732-8
CAS No. 20323-74-4 Density 1.16 g/cm3
PSA 70.78000 LogP 2.04390
Solubility N/A Melting Point 86-88°C
Formula C11H15NO4 Boiling Point 355.9 °C at 760 mmHg
Molecular Weight 225.244 Flash Point 164 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 20323-74-4 (Ethyl 2-amino-4,5-dimethoxybenzoate) Hazard Symbols N/A
Synonyms

ethyl 2-amino-4,5-dimethoxy-benzoate;Ethyl 4,5-dimethoxyanthranilate;Ethyl 6-amino-3,4-dimethoxybenzoate;2-Amino-4,5-dimethoxybenzoic acid ethyl ester;Ethyl 6-amino-3,4-dimethoxybenzoate;

Article Data 19

Ethyl 2-amino-4,5-dimethoxybenzoate Specification

The Ethyl 2-amino-4,5-dimethoxybenzoate, with the cas registry number 20323-74-4 and EINECS registry number 243-732-8, is also called 2-Amino-4,5-dimethoxybenzoic acid ethyl ester. It belongs to the product category of Aromatic Esters. And the molecular formula of the chemical is C11H15NO4. When you are dealing with this chemical, be cautious not to breathe dust, and avoid contact with skin and eyes. 

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.31; (4)ACD/LogD (pH 7.4): 2.31; (5)ACD/BCF (pH 5.5): 33.68; (6)ACD/BCF (pH 7.4): 33.7; (7)ACD/KOC (pH 5.5): 431.3; (8)ACD/KOC (pH 7.4): 431.62; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 48 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 60.25 cm3; (15)Molar Volume: 194.1 cm3; (16)Polarizability: 23.88×10-24cm3; (17)Surface Tension: 40.9 dyne/cm; (18)Density: 1.16 g/cm3; (19)Flash Point: 164 °C; (20)Enthalpy of Vaporization: 60.11 kJ/mol; (21)Boiling Point: 355.9 °C at 760 mmHg; (22)Vapour Pressure: 3.02E-05 mmHg at 25°C.

Preparation of Ethyl 2-amino-4,5-dimethoxybenzoate: This chemical can be prepared by 4,5-dimethoxy-2-nitro-benzoic acid ethyl ester. The reaction will need reagent H2, catalyst Pd/C, and the menstruum ethanol. The reaction time is 14 hours with temperature 20°C, and the yield is about 98%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCC)c1c(cc(OC)c(OC)c1)N
(2)InChI: InChI=1/C11H15NO4/c1-4-16-11(13)7-5-9(14-2)10(15-3)6-8(7)12/h5-6H,4,12H2,1-3H3
(3)InChIKey: SMICMEHDDWELMR-UHFFFAOYAC

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