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Cas Database |
| Name |
Ethyl 2-amino-5-iodobenzoate |
EINECS | 608-010-2 |
| CAS No. | 268568-11-2 | Density | 1.730 g/cm3 |
| PSA | 52.32000 | LogP | 2.63130 |
| Solubility | N/A | Melting Point |
69-71 °C |
| Formula | C9H10INO2 | Boiling Point | 347.9 °C at 760 mmHg |
| Molecular Weight | 291.088 | Flash Point | 164.2 °C |
| Transport Information | N/A | Appearance | pale yellow crystalline powder |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Ethyl 5-iodoanthranilate; 2-Amino-... |
Article Data | 3 |
Ethyl 2-amino-5-iodobenzoate Synthetic route
- 87-25-2
2-ethoxycarbonylaniline
- 268568-11-2
ethyl 2-amino-5-iodobenzoate
| Conditions | Yield |
|---|---|
| With iodine; silver sulfate In ethanol at 20℃; for 1h; | 90% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride for 7h; Esterification; Heating; | |
| With thionyl chloride for 18h; Reflux; Inert atmosphere; Cooling with ice; |
- 268568-11-2
ethyl 2-amino-5-iodobenzoate
- 1066-54-2
trimethylsilylacetylene
- 870621-97-9
2-amino-5-trimethylsilanylethynyl-benzoic acid ethyl ester
| Conditions | Yield |
|---|---|
| With copper(l) iodide; tetrakis(triphenylphosphine) palladium(0) In triethylamine at 50℃; for 4h; | 90% |
- 268568-11-2
ethyl 2-amino-5-iodobenzoate
- 693-13-0
diisopropyl-carbodiimide
| Conditions | Yield |
|---|---|
| With tris(bis(trimethylsilyl)amido)lanthanum(III) In neat (no solvent) at 100℃; for 24h; Schlenk technique; Inert atmosphere; | 86% |
- 1003-31-2
thiophene-2-carbonitrile
- 268568-11-2
ethyl 2-amino-5-iodobenzoate
- 1397709-67-9
ethyl 2-amino-5-(5-cyanothiophen-2-yl)benzoate
| Conditions | Yield |
|---|---|
| With potassium acetate; palladium diacetate In N,N-dimethyl acetamide at 150℃; for 20h; Inert atmosphere; | 77% |
- 102-82-9
tributyl-amine
- 268568-11-2
ethyl 2-amino-5-iodobenzoate
- 1290542-74-3
ethyl 2-amino-5-butyrylbenzoate
| Conditions | Yield |
|---|---|
| With dichloro bis(acetonitrile) palladium(II); tetrabutylammomium bromide; water; zinc(II) oxide In dimethyl sulfoxide at 100℃; for 36h; | 76% |
- 18640-74-9
2-isobutylthiazole
- 268568-11-2
ethyl 2-amino-5-iodobenzoate
- 1397709-71-5
ethyl 2-amino-5-(2-isobutylthiazol-5-yl)-benzoate
| Conditions | Yield |
|---|---|
| With potassium acetate; palladium diacetate In N,N-dimethyl acetamide at 150℃; for 20h; Inert atmosphere; | 73% |
- 6436-59-5
ethyl 2-methylthiazole-4-carboxylate
- 268568-11-2
ethyl 2-amino-5-iodobenzoate
- 1397709-72-6
ethyl 5-(4-amino-3-ethoxycarbonylphenyl)-2-methylthiazole-
| Conditions | Yield |
|---|---|
| With potassium acetate; palladium diacetate In N,N-dimethyl acetamide at 150℃; for 20h; Inert atmosphere; | 72% |
- 96-54-8
N-Methylpyrrole
- 268568-11-2
ethyl 2-amino-5-iodobenzoate
- 1397709-70-4
ethyl 2-amino-5-(1-methylpyrrol-2-yl)benzoate
| Conditions | Yield |
|---|---|
| With potassium acetate; palladium diacetate In N,N-dimethyl acetamide at 150℃; for 20h; Inert atmosphere; | 64% |
- 34730-20-6
1-(4-chlorothiophen-2-yl)ethan-1-one
- 268568-11-2
ethyl 2-amino-5-iodobenzoate
- 1397709-68-0
ethyl 5-(5-acetyl-3-chlorothiophen-2-yl)-2-aminobenzoate
| Conditions | Yield |
|---|---|
| With potassium acetate; palladium diacetate In N,N-dimethyl acetamide at 150℃; for 20h; Inert atmosphere; | 61% |
Ethyl 2-amino-5-iodobenzoate Specification
The Ethyl 2-amino-5-iodobenzoate, with the CAS registry number 268568-11-2, is also known as Ethyl 5-iodoanthranilate and 2-Amino-5-iodobenzoic acid ethyl ester. It belongs to the product categories of Acids & Esters; Anilines, Amides & Amines; Iodine Compounds. This chemical's molecular formula is C9H10INO2 and formula weight is 291.09. What's more, both its IUPAC name and systematic name are the same which is called Ethyl 2-amino-5-iodobenzoate.
Physical properties about this chemical are: (1)ACD/LogP: 4.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.05; (4)ACD/LogD (pH 7.4): 4.05; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 52.32 Å2; (9)Index of Refraction: 1.629; (10)Molar Refractivity: 59.8 cm3; (11)Molar Volume: 168.1 cm3; (12)Surface Tension: 52.7 dyne/cm; (13)Density: 1.73 g/cm3; (14)Flash Point: 164.2 °C; (15)Melting Point: 69-71°C; (16)Enthalpy of Vaporization: 59.22 kJ/mol; (17)Boiling Point: 347.9 °C at 760 mmHg; (18)Vapour Pressure: 5.23E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=C(C=CC(=C1)I)N
(2)InChI: InChI=1S/C9H10INO2/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2,11H2,1H3
(3)InChIKey: FPCLHSGOJPEKKE-UHFFFAOYSA-N
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