Carbamic acid,N-[2-(4-hydroxyphenyl)ethyl]-, 1,1-dimethylethyl ester (64318-28-1)

The N-Boc-tyramine, with the CAS registry number 64318-28-1, is also known as [2-(4-Hydroxyphenyl)ethyl]carbamic acid tert-butyl ester. It belongs to the product categories of Nitrogen Compounds; Organic Building Blocks; Protected Amines and Miscellaneous. This chemical's molecular formula is C₁₃H₁₉NO₃ and molecular weight is 237.29. What's more, its IUPAC name is tert-Butyl N-[2-(4-hydroxyphenyl)ethyl]carbamate and systematic name is called tert-Butyl [2-(4-hydroxyphenyl)ethyl]carbamate.

Physical properties about N-Boc-tyramine are: (1) ACD/LogP: 2.21; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3; (4) ACD/LogD (pH 7.4): 3; (5) ACD/BCF (pH 5.5): 53; (6) ACD/BCF (pH 7.4): 53; (7) ACD/KOC (pH 5.5): 597; (8) ACD/KOC (pH 7.4): 595; (9) #H bond acceptors: 4; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 6; (12) Polar Surface Area: 58.56 Å²; (13) Index of Refraction: 1.526; (14) Molar Refractivity: 66.183 cm³; (15) Molar Volume: 215.561 cm³; (16) Surface Tension: 41.038 dyne/cm; (17) Density: 1.101 g/cm³; (18) Flash Point: 193.115 °C; (19) Enthalpy of Vaporization: 67.11 kJ/mol; (20) Boiling Point: 395.704 °C at 760 mmHg; (21) Vapour Pressure: 0 mmHg at 25 °C; (22) Melting Point: 71-75 °C

Preparation of N-Boc-tyramine: this chemical is prepared by reaction of 4-(2-Amino-ethyl)-phenol with Di(tert-butyl) carbonate.



This reaction needs solvent Ethyl acetate at temperature of 25 °C. The reaction time is 30 min. The yield is 92 %.

Uses of N-Boc-tyramine: it is used to produce other chemicals. For example, it is used to produce {2-[4-(tert-Butyl-dimethyl-silanyloxy)-phenyl]-ethyl}-carbamic acid tert-butyl ester.



This reaction needs reagent Imidazole and solvent Ethyl acetate at temperature of 25 °C. The reaction time is 24 hours. The yield is 98 %.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system, skin and may cause inflammation to the skin or other mucous membranes. Therefore, you should be cautious about it. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)NCCc1ccc(O)cc1
(2) InChI: InChI=1/C13H19NO3/c1-13(2,3)17-12(16)14-9-8-10-4-6-11(15)7-5-10/h4-7,15H,8-9H2,1-3H3,(H,14,16)
(3) InChIKey: ILNOTKMMDBWGOK-UHFFFAOYAY