(BOC-CYS-OH)2

The L-Cystine,N,N'-bis[(1,1-dimethylethoxy)carbonyl]-, with the CAS registry number 10389-65-8, is also known as N,N'-Di-Boc-L-cystine. It belongs to the product category of Amino Acids. Its EINECS registry number is 233-852-9. This chemical's molecular formula is C₁₆H₂₈N₂O₈S₂ and molecular weight is 440.53. What's more, its IUPAC name is (2R)-3-[[3-Hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]disulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid and systematic name is called N,N'-Bis(tert-butoxycarbonyl)cystine.

Physical properties about L-Cystine,N,N'-bis[(1,1-dimethylethoxy)carbonyl]- are: (1)ACD/LogP: 4.79; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.29; (4)ACD/LogD (pH 7.4): 0.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 10; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 162.28 Å²; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 105.88 cm³; (15)Molar Volume: 335.2 cm³; (16)Surface Tension: 52.8 dyne/cm; (17)Density: 1.313 g/cm³; (18)Flash Point: 333.2 °C; (19)Enthalpy of Vaporization: 101.34 kJ/mol; (20)Boiling Point: 627.4 °C at 760 mmHg; (21)Vapour Pressure: 2.36E-17 mmHg at 25 °C; (22)Melting Point: 140-145 °C.

Preparation of L-Cystine,N,N'-bis[(1,1-dimethylethoxy)carbonyl]-: this chemical can be prepared by L-Cystine.

This reaction needs reagent Et₃N and solvent H₂O, Dimethylformamide at ambient temperature. The reaction time is 8 hours. The yield is 78 %.

Uses of L-Cystine,N,N'-bis[(1,1-dimethylethoxy)carbonyl]-: it is used to produce other chemicals. For example, it is used to produce N-(tert-Butoxycarbonyl)cysteine.

The reaction occurs with reagent Triethylphosphane and solvent Tetrahydrofuran, H₂O. The yield is 92 %.

When you are dealing with this chemical, you should be very careful. The gas of this chemical can not be breathed. In addition, you should avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)NC(C(=O)O)CSSCC(NC(=O)OC(C)(C)C)C(=O)OCopyCopied
(2) InChI: InChI=1/C16H28N2O8S2/c1-15(2,3)25-13(23)17-9(11(19)20)7-27-28-8-10(12(21)22)18-14(24)26-16(4,5)6/h9-10H,7-8H2,1-6H3,(H,17,23)(H,18,24)(H,19,20)(H,21,22) CopyCopied
(3) InChIKey: MHDQAZHYHAOTKR-UHFFFAOY