CAS No.2018-66-8,N-Cbz-L-Leucine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2018-66-8
Name:	N-Cbz-L-Leucine
Article Data:	82

Formula:	C₁₄H₁₉NO₄
Molecular Weight:	265.309
Synonyms:	Leucine,N-carboxy-, N-benzyl ester (6CI);(Benzyloxycarbonyl)leucine;(Carbobenzyloxy)-L-leucine;CBZ-L-leucine;L-(Carbobenzyloxy)leucine;L-N-(Benzyloxycarbonyl)leucine;N-(Benzyloxycarbonyl)leucine;N-(Carbobenzoxy)leucine;N-Carbobenzyloxy-L-leucine;N-Carboxy-L-leucine N-benzyl ester;NSC60039;Z-Leu-OH;
EINECS:	217-960-3
Density:	1.158 g/cm³
Boiling Point:	442.8 °C at 760 mmHg
Flash Point:	221.6 °C
Solubility:	Not miscible or difficult to mix in water. Soluble in chloroform, DMSO and methanol.
Appearance:	yellow oil or weak solid
Hazard Symbols:	Xn
Risk Codes:	10-20/22-37/38-40-41-36/37/38-20/21/22
Safety:	16-26-36/37/39-45-36
Transport Information:	UN 1993 3/PG 3
PSA:	75.63000
LogP:	2.80300

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Specification

The IUPAC name of N-Cbz-L-Leucine is 4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid. With the CAS registry number 2018-66-8, it is also named as Benzyloxycarbonyl-L-leucine. The product's categories are Amino Acid Derivatives; Leucine [Leu, L]; Z-Amino Acids and Derivatives; Amino Acids; Amino Acids (N-Protected); Biochemistry; Cbz-Amino Acids; Z-Amino Acid Series. Besides, it is yellow oil or weak solid, which should be stored in sealed place at 2-8 °C. In addition, its molecular formula is C₁₄H₁₉NO₄ and molecular weight is 265.31.

The other characteristics of this product can be summarized as: (1)EINECS: 217-960-3; (2)ACD/LogP: 3.12; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.2; (5)ACD/LogD (pH 7.4): -0.36; (6)ACD/BCF (pH 5.5): 1.67; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 14.27; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 5; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 7; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 70.45 cm³; (15)Molar Volume: 228.9 cm³; (16)Surface Tension: 44.6 dyne/cm; (17)Density: 1.158 g/cm³; (18)Flash Point: 221.6 °C; (19)alpha: -17 °(c=2, Ethanol); (20)Enthalpy of Vaporization: 73.8 kJ/mol; (21)Boiling Point: 442.8 °C at 760 mmHg; (22)Vapour Pressure: 1.28E-08 mmHg at 25 °C.

Preparation of N-Cbz-L-Leucine: this chemical can be prepared by L-Leucine and Dibenzyl pyrocarbonate.

The yield is 72 %.

Uses of N-Cbz-L-Leucine: this chemical is used as biochemical reagents. It is also used for the synthesis of polypeptide. What's more, it can react with L-Leucine methyl ester to get N-(N-Benzyloxycarbonyl-L-leucyl)-L-leucine methyl ester.

This reaction needs Bis(3-cyan-4,6-dimethyl-2-pyridinyl)disulφde, Triphenylphosphane and CH₂Cl₂ at temperature of -20 - -15 °C for 12 hours. The yield is 86 %.

When you are using this chemical, please be cautious about it as the following: it is flammable. Please keep away from sources of ignition. It is also harmful by inhalation, in contact with skin and if swallowed. Moreover, it is irritating to eyes, respiratory system and skin and risk of serious damage to the eyes. Limited evidence of a carcinogenic effect. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection. Furthermore, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)[C@@H](NC(=O)OCc1ccccc1)CC(C)C
(2)InChI: InChI=1/C14H19NO4/c1-10(2)8-12(13(16)17)15-14(18)19-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,18)(H,16,17)/t12-/m0/s1
(3)InChIKey: USPFMEKVPDBMCG-LBPRGKRZBU
(4)Std. InChI: InChI=1S/C14H19NO4/c1-10(2)8-12(13(16)17)15-14(18)19-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,18)(H,16,17)/t12-/m0/s1
(5)Std. InChIKey: USPFMEKVPDBMCG-LBPRGKRZSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravaginal	> 1gm/kg (1000mg/kg)		Journal of Pharmaceutical Sciences. Vol. 68, Pg. 696, 1979.