1. Introduction of tert-Butyl 4-aminobenzoate

The systematic name of this chemical is tert-butyl 4-aminobenzoate. With the CAS registry number 18144-47-3, it is also named as 2-Methyl-2-propanyl 4-aminobenzoate. The product's categories are API Intermediates; Aromatic Amino Acids; Peptide Synthesis; Unnatural Amino Acid Derivatives. It is solid which must keep away from oxidant, carbon dioxide and air. Additionally, this chemical should be sealed in the container which is filled with inert gas and stored in the cool and dry place.

2. Properties of tert-Butyl 4-aminobenzoate

(1)ACD/LogP: 2.64; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 29.54 Å²; (7)Index of Refraction: 1.538; (8)Molar Refractivity: 56.12 cm³; (9)Molar Volume: 179.1 cm³; (10)Polarizability: 22.25×10^-24 cm³; (11)Surface Tension: 40.6 dyne/cm; (12)Density: 1.078 g/cm³; (13)Flash Point: 173.6 °C ; (14)Enthalpy of Vaporization: 56.43 kJ/mol; (15)Boiling Point: 322.4 °C at 760 mmHg; (16)Vapour Pressure: 0.000279 mmHg at 25°C.

3. Structure descriptors of tert-Butyl 4-aminobenzoate

1. SMILES:O=C(OC(C)(C)C)c1ccc(N)cc1
2. InChI:InChI=1/C11H15NO2/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h4-7H,12H2,1-3H3
3. InChIKey:KYORUZMJUKHKFS-UHFFFAOYAC

4.Preparation of Benzoic acid, 4-amino-,1,1-dimethylethyl ester

It can be obtained by 4-nitro-benzoic acid tert-butyl ester. This reaction needs reagent H₂, catalytic agent Pd/AV-17-8 and solvent ethanol at temperature of 45 °C and pressure of 750.06. The yield is 99%.

5.Uses of Benzoic acid, 4-amino-,1,1-dimethylethyl ester

It can react with 1,4-dibromo-butan-2-ol to get N-[4'-(tert-butoxycarbonyl)phenyl]-3-pyrrolidinol. This reaction needs reagents potassium carbonate and triethyl phosphate . The reaction time is 10 hours. The yield is 50%.

6. Safety information of tert-Butyl 4-aminobenzoate

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 protective clothing.