| Identification | |
| Name: | L-Isoleucine,N-[(phenylmethoxy)carbonyl]- |
| Synonyms: | Isoleucine, N-carboxy-, N-benzyl ester,L- (8CI);CBZ-L-Isoleucine;N-(Benzyloxycarbonyl)isoleucine;N-Benzyloxycarbonyl-L-isoleucine;N-Carbobenzoxy-L-isoleucine;N-Carbobenzyloxy-L-isoleucine;N-Cbz-L-Isoleucine; |
| CAS: | 3160-59-6 |
| EINECS: | 221-611-0 |
| Molecular Formula: | C14H19NO4 |
| Molecular Weight: | 265.31 |
| InChI: | InChI=1/C14H19NO4/c1-3-10(2)12(13(16)17)15-14(18)19-9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H,15,18)(H,16,17) |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.158 g/cm3 |
| Stability: | Stable under normal temperatures and pressures. |
| Refractive index: | 6.5 ° (C=6, EtOH) |
| Alpha: | 7 º (C=6, ETOH) |
| Appearance: | Moist white crystals |
| Specification: |
The IUPAC name of L-Isoleucine,N-[(phenylmethoxy)carbonyl]- is 3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid . With the CAS registry number 3160-59-6, it is also named as N-Benzyloxycarbonyl-L-isoleucine ; N-Carbobenzoxy-L-isoleucine . It is white to yellowish weak solid which should be stored storage at the temperature of 2-8 °C. This product is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. So people should avoid contact with skin and eyes. 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. The L-Isoleucine,N-[(phenylmethoxy)carbonyl]- can be used as pharmaceutical intermediates. So it can be used to prepare other chemicals. Such as: It can synthesize N,N-Dimethylvalyl-N-[2(R)-methoxy-4-[2(S)-[1(R)-methoxy-2(R)-methyl-3-oxo-3-[[2-phenyl-1(S)-(2-thiazolyl)ethyl]amino]propyl]-1-pyrrolidinyl]-1(S)-[1(S)-methylpropyl]-4-oxobutyl]-N-methylvalinamide . The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.12 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 1.22 ; (4)ACD/LogD (pH 7.4): -0.35 ; (5)ACD/BCF (pH 5.5): 1.72 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 14.71 ; (8)ACD/KOC (pH 7.4): 1 ; (9)#H bond acceptors: 5 ; (10)#H bond donors: 2 ; (11)#Freely Rotating Bonds: 7 ; (12)Index of Refraction: 1.527 ; (13)Molar Refractivity: 70.45 cm3 ; (14)Molar Volume: 228.9 cm3 ; (15)Polarizability: 27.92×10-24 cm3 ; (16)Surface Tension: 44.6 dyne/cm ; (17)Enthalpy of Vaporization: 73.8 kJ/mol ; (18)Vapour Pressure: 1.28E-08 mmHg at 25°C ; (19)Rotatable Bond Count: 7 ; (20)Tautomer Count: 2 ; (21)Exact Mass: 265.131408 ; (22)MonoIsotopic Mass: 265.131408 ; (23)Topological Polar Surface Area: 75.6 ; (24)Heavy Atom Count: 19. People can use the following data to convert to the molecule structure. SMILES: O=C(O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](C)CC; InChI: InChI=1/C14H19NO4/c1-3-10(2)12(13(16)17)15-14(18)19-9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H,15,18)(H,16,17)/t10-,12-/m0/s1. |
| Storage Temperature: | 2-8°C |
| Safety Data | |
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