CAS No.268568-11-2,Ethyl 2-amino-5-iodobenzoate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	268568-11-2
Name:	Ethyl 2-amino-5-iodobenzoate
Article Data:	3

Formula:	C₉H₁₀INO₂
Molecular Weight:	291.088
Synonyms:	Ethyl 5-iodoanthranilate; 2-Amino-...
EINECS:	608-010-2
Density:	1.730 g/cm³
Melting Point:	69-71 °C
Boiling Point:	347.9 °C at 760 mmHg
Flash Point:	164.2 °C
Appearance:	pale yellow crystalline powder
PSA:	52.32000
LogP:	2.63130

Synthetic route

: 87-25-2
2-ethoxycarbonylaniline

: 268568-11-2
ethyl 2-amino-5-iodobenzoate

Conditions

Conditions	Yield
With iodine; silver sulfate In ethanol at 20℃; for 1h;	90%

: 64-17-5
ethanol

: 5326-47-6
2-amino-5-iodobenzoic acid

: 268568-11-2
ethyl 2-amino-5-iodobenzoate

Conditions

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

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

: 6-iodo-3-isopropyl-2-(isopropylamino)quinazolin-4(3H)-one

Conditions

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

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

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

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

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

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

Conditions	Yield
With potassium acetate; palladium diacetate In N,N-dimethyl acetamide at 150℃; for 20h; Inert atmosphere;	61%

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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