2-Amino-3,5-dimethylbenzoic acid

The IUPAC name of this chemical is 2-amino-3,5-dimethylbenzoic acid. With the CAS registry number 14438-32-5, it is also named as benzoic acid, 2-amino-3,5-dimethyl-. The product's categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Phenylacetic Acid; Chiral Chemicals; Aromatic Amino Acids; Peptide Synthesis; Unnatural Amino Acid Derivatives. It is brown powder which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and kept away from direct sunshine and oxidant.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.28; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 3.42; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 47.99; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 47.06 cm³; (15)Molar Volume: 136.7 cm³; (16)Polarizability: 18.65×10^-24 cm³; (17)Surface Tension: 53.8 dyne/cm ; (18)Density: 1.207 g/cm³; (19)Flash Point: 148.6 °C; (20)Enthalpy of Vaporization: 59.54 kJ/mol; (21)Boiling Point: 322.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000117 mmHg at 25°C.

Uses of 2-Amino-3,5-dimethylbenzoic acid: It can react with cyclopenta-1,3-diene to get 5,7-dimethyl-1,4-dihydro-1,4-methano-naphthalene. This reaction which is a kind of dehydrobenzene formation and cycloaddition needs reagent 3-methylbutyl nitrite and solvents tetrahydrofuran, CH₂Cl₂ by refluxing. The reaction time is 90 min. The yield is 64%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)c1cc(cc(c1N)C)C
2. InChI:InChI=1/C9H11NO2/c1-5-3-6(2)8(10)7(4-5)9(11)12/h3-4H,10H2,1-2H3,(H,11,12)
3. InChIKey:GIMYRAQQQBFFFJ-UHFFFAOYAB