BOC-D-Alanine

ASSAY OF BOC-D-alanine: 98.0% min
OPTICAL ROTATION [a]²⁰: +25^° ~ +26^° (C=2 in Acetic Acid)
SOLUTION CLARITY: clear
Fe: 10 ppm max
HEAVY METALS: 10ppm max
As: 2 ppm max
LOSS ON DRYING: 0.5% max

The BOC-D-Alanine, with the CAS registry number 7764-95-6, is also known as BOC-D-Ala-OH. It belongs to the product categories of Protected Amino Acids; Pharmacetical; Amino Acids; Alanine [Ala, A]; Boc-Amino Acids and Derivative; Amino Acids (N-Protected); Biochemistry; Boc-Amino Acids; Boc-Amino Acid Series. This chemical's molecular formula is C₈H₁₅NO₄ and molecular weight is 189.21. Its systematic name is called N-(tert-butoxycarbonyl)-D-alanine. This chemical can be used in peptide synthesis which should be stored at temperature of -20 °C.

Physical properties of BOC-D-Alanine: (1)ACD/LogP: 1.10; (2)ACD/LogD (pH 5.5): -0.84; (3)ACD/LogD (pH 7.4): -2.39; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.07; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.459; (12)Molar Refractivity: 45.97 cm³; (13)Molar Volume: 167.9 cm³; (14)Surface Tension: 38.1 dyne/cm; (15)Density: 1.126 g/cm³; (16)Flash Point: 147.9 °C; (17)Enthalpy of Vaporization: 61.86 kJ/mol; (18)Boiling Point: 320.9 °C at 760 mmHg; (19)Vapour Pressure: 6.39E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by D-alanine and di(tert-butyl) carbonate. This reaction will need reagent NaOH and solvent dioxane, H₂O. The reaction time is 20 hours. The yield is about 90%.

Uses of BOC-D-Alanine: it can be used to produce Boc-D-Ala-Ala-OMe at temperature of 25 °C. This reaction will need reagent dicyclohexylcarbodiimide (DCC) and solvent CH₂Cl₂ with reaction time of 36 hours. The yield is about 95%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing. Finally, you must avoid contacting it with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@@H](C(=O)O)C
(2)InChI: InChI=1/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m1/s1
(3)InChIKey: QVHJQCGUWFKTSE-RXMQYKEDBQ