Benzoic acid, 2-amino-,2-methylpropyl ester (7779-77-3)

The CAS register number of Isobutyl anthranilate is 7779-77-3. It also can be called as Benzoic acid, 2-amino-,2-methylpropyl ester and the IUPAC name about this chemical is 2-methylpropyl 2-aminobenzoate. The molecular formula about this chemical is C₁₁H₁₅NO₂ and the molecular weight is 193.24.

Physical properties about Isobutyl anthranilate are: (1)ACD/LogP: 3.45; (2)ACD/LogD (pH 5.5): 3.45; (3)ACD/LogD (pH 7.4): 3.45; (4)ACD/BCF (pH 5.5): 246.06; (5)ACD/BCF (pH 7.4): 246.06; (6)ACD/KOC (pH 5.5): 1791.06; (7)ACD/KOC (pH 7.4): 1791.08; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 29.54Ų; (12)Index of Refraction: 1.537; (13)Molar Refractivity: 56.11 cm³; (14)Molar Volume: 179.5 cm³; (15)Polarizability: 22.24x10^-24cm³; (16)Surface Tension: 41.1 dyne/cm; (17)Enthalpy of Vaporization: 52.99 kJ/mol; (18)Boiling Point: 290.6 °C at 760 mmHg; (19)Vapour Pressure: 0.00206 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-nitro-benzoic acid isobutyl ester. This reaction will need reagent H₂, PtO₂ and solvent various solvent(s). The yield is about 86.3%.

Uses of Isobutyl anthranilate: it can be used to produce diethyl [o-(isobutoxycarbonyl)phenyl]phosphoramidite with phosphorochloridous acid diethyl ester at ambient temperature. This reaction will need reagent triethylamine and solvent benzene with reaction time of 2 hours. The yield is about 33%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(C)C)c1ccccc1N
(2)InChI: InChI=1/C11H15NO2/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8H,7,12H2,1-2H3
(3)InChIKey: ILCLJQFCMRCPNM-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C11H15NO2/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8H,7,12H2,1-2H3
(5)Std. InChIKey: ILCLJQFCMRCPNM-UHFFFAOYSA-N