Indoline-2-carboxylic acid

The CAS register number of Indoline-2-carboxylic acid is 78348-24-0. It also can be called as (+/-)-Indoline-2-carboxylic acid and the IUPAC name about this chemical is 2,3-dihydro-1H-indole-2-carboxylic acid. The molecular formula about this chemical is C₉H₉NO₂ and the molecular weight is 163.17. It belongs to the following product categories, such as Pyrrole; Indoline & Oxindole; Indole; Others; Peptide Synthesis; Unnatural Amino Acid Derivatives and so on. If you want to store this chemical, please keep it in a closed container and store it in a cool, dry place, this chemical need keep away from Oxidants.

Physical properties about Indoline-2-carboxylic acid are: (1)ACD/LogP: 0.74; (2)ACD/LogD (pH 5.5): -1.28; (3)ACD/LogD (pH 7.4): -2.75; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 29.54Ų; (12)Index of Refraction: 1.598; (13)Molar Refractivity: 43.27 cm³; (14)Molar Volume: 126.8 cm³; (15)Polarizability: 17.15x10^-24cm³; (16)Surface Tension: 52.2 dyne/cm; (17)Enthalpy of Vaporization: 66.26 kJ/mol; (18)Boiling Point: 380 °C at 760 mmHg; (19)Vapour Pressure: 1.88E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by ethyl indoline-2-carboxylate. This reaction will need reagent KOH and solvent dimethylsulfoxide, H₂O at ambient temperature. The yield is about 100%.

Uses of Indoline-2-carboxylic acid: it can be used to produce Boc-indoline-2-carboxylic acid with di-tert-butyl dicarbonate. This reaction will need reagent aq. NaOH and solvent 2-methyl-propan-2-ol. The yield is about 72%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful: danger of serious damage to health by prolonged exposure if swallowed, it has risk of impaired fertility and it may cause sensitization by skin contact.When you are using it, wear suitable protective clothing and gloves, you also need do not breathe dust.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C2Nc1ccccc1C2
(2)InChI: InChI=1/C9H9NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-4,8,10H,5H2,(H,11,12)
(3)InChIKey: QNRXNRGSOJZINA-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C9H9NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-4,8,10H,5H2,(H,11,12)
(5)Std. InChIKey: QNRXNRGSOJZINA-UHFFFAOYSA-N