4-TERT-BUTYLPHENYLACETIC ACID

This chemical is called (4-tert-Butylphenyl)acetic acid, and it's also named as Benzeneacetic acid, 4-(1,1-dimethylethyl)-. With the molecular formula of C₁₂H₁₆O₂, its molecular weight is 192.25. The CAS registry number of this chemical is 32857-63-9. Additionally, its product categories are Aromatic Phenylacetic Acids and Derivatives;pharmacetical.

Other characteristics of the (4-tert-Butylphenyl)acetic acid can be summarised as followings: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 0.27; (5)ACD/BCF (pH 5.5): 11.8; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 97.55; (8)ACD/KOC (pH 7.4): 1.55; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 55.75 cm³; (15)Molar Volume: 183.5 cm³; (16)Polarizability: 22.1×10^-24cm³; (17)Surface Tension: 37.3 dyne/cm; (18)Density: 1.047 g/cm³; (19)Flash Point: 199.9 °C; (20)Enthalpy of Vaporization: 57.34
kJ/mol; (21)Boiling Point: 302.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000427 mmHg at 25°C.

Production method of this chemical: The (4-tert-Butylphenyl)acetic acid could be obtained by the reactant of (4-tert-butyl-phenyl)-acetonitrile. This reaction needs the reagents of aqueous sulfuric acid, acetic acid.

Uses of this chemical: The (4-tert-Butylphenyl)acetic acid could react with 5-(3-amino-4-hydroxy-benzyl)-thiazolidine-2,4-dione to obtain the 5-[2-(4-tert-butyl-benzyl)-benzooxazol-5-ylmethyl]-thiazolidine-2,4-dione. This reaction needs the reagent of trimethylsilyl polyphosphate, and the solvent of 1,2-dichloro-benzene. The yield is 39 %. In addition, this reaction should be taken for 1.5 hours at the temperature of 150 °C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)Cc1ccc(cc1)C(C)(C)C
2.InChI: InChI=1/C12H16O2/c1-12(2,3)10-6-4-9(5-7-10)8-11(13)14/h4-7H,8H2,1-3H3,(H,13,14)
3.InChIKey: RUAYXHSDAMWEDR-UHFFFAOYAJ