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| CAS No.: | 6562-74-9 |
|---|---|
| Name: | Furo[2,3-b]pyridine-2-carboxylic acid, 5-amino-, ethyl ester |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C10H10N2O3 |
| Molecular Weight: | 206.201 |
| Synonyms: | 5-Aminofuro[2,3-b]pyridine-2-carboxylic acid ethyl ester; |
| Density: | 1.32 g/cm3 |
| Melting Point: | 176-177 °C |
| Boiling Point: | 350.353 °C at 760 mmHg |
| Flash Point: | 165.688 °C |
| PSA: | 78.35000 |
| LogP: | 2.16790 |
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Specification
The Furo[2, 3-b]pyridine-2-carboxylic acid, 5-amino-, ethyl ester, with the CAS registry number 6562-74-9, is also known as 5-Aminofuro[2, 3-b]pyridine-2-carboxylic acid ethyl ester. This chemical's molecular formula is C10H10N2O3 and molecular weight is 206.198. What's more, its systematic name is Ethyl 5-aminofuro[2, 3-b]pyridine-2-carboxylate.
Physical properties about Furo[2, 3-b]pyridine-2-carboxylic acid, 5-amino-, ethyl ester are: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 93; (8)ACD/KOC (pH 7.4): 94; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 78.35 Å2; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 55.129 cm3; (15)Molar Volume: 156.247 cm3; (16)Polarizability: 21.855×10-24 cm3; (17)Surface Tension: 57.202 dyne/cm; (18)Density: 1.32 g/cm3; (19)Flash Point: 165.688 °C; (20)Enthalpy of Vaporization: 59.494 kJ/mol; (21)Boiling Point: 350.353 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
Preparation of Furo[2, 3-b]pyridine-2-carboxylic acid, 5-amino-, ethyl ester: this chemical is prepared by 5-Nitro-furo[2, 3-b]pyridine-2-carboxylic acid ethyl ester. This reaction needs reagent H2, catalyst 10 % Pd/C and solvent Ethanol. The reaction time is 15 hours with reaction temperature of 20 °C. The yield is about 96 %.
![The Furo[2, 3-b]pyridine-2-carboxylic acid, 5-amino-, ethyl ester can be obtained by 5-Nitro-furo[2, 3-b]pyridine-2-carboxylic acid ethyl ester.](/UserFilesUpload/Preparation of Furo[2, 3-b]pyridine-2-carboxylic acid, 5-amino-, ethyl ester.png)
Uses of Furo[2, 3-b]pyridine-2-carboxylic acid, 5-amino-, ethyl ester: it is used to produce other chemicals. For example, it is used to produce 5-Cyano-furo[2, 3-b]pyridine-2-carboxylic acid ethyl ester. This reaction needs reagents HCl, NaNO2, KCN. Meanwhile, it needs solvent Tetrahydrofuran. This reaction needs two steps, the reaction conditions are 1.) 20min, 2-3 °C; 2.) 3.5h, 3-50 °C. The yield is about 20 %.
![Furo[2, 3-b]pyridine-2-carboxylic acid, 5-amino-, ethyl ester can react with Hydrogen cyanide; copper(1+) salt to get 5-Cyano-furo[2, 3-b]pyridine-2-carboxylic acid ethyl ester.](/UserFilesUpload/Uses of Furo[2, 3-b]pyridine-2-carboxylic acid, 5-amino-, ethyl ester.png)
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c2oc1ncc(cc1c2)N
(2) InChI: InChI=1/C10H10N2O3/c1-2-14-10(13)8-4-6-3-7(11)5-12-9(6)15-8/h3-5H,2,11H2,1H3
(3) InChIKey: HKOYQWROZVTJQN-UHFFFAOYAU