CAS No.3588-60-1,N-CARBOBENZOXY-DL-LEUCINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3588-60-1
Name:	N-CARBOBENZOXY-DL-LEUCINE
Article Data:	15

Formula:	C₁₄H₁₉NO₄
Molecular Weight:	265.309
Synonyms:	Leucine, N-carboxy-, N-benzyl ester, DL- (8CI);DL-Leucine,N-[(phenylmethoxy)carbonyl]-;Leucine,N-[(phenylmethoxy)carbonyl]-;DL-N-(Benzyloxycarbonyl)leucine;DL-(Carbobenzyloxy)leucine;
EINECS:	206-759-6
Density:	1.158 g/cm³
Melting Point:	54 °C
Boiling Point:	442.8 °C at 760 mmHg
Flash Point:	221.6 °C
Solubility:	Soluble in water, diluted hydrochloric acid, acetic acid and alkaline hydroxides and carbonates solution, insoluble in ether
Appearance:	White or colorless powder
PSA:	75.63000
LogP:	2.80300

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Specification

The N-(Benzyloxycarbonyl)-DL-leucine, with the CAS registry number 3588-60-1, is also known as DL-(Carbobenzyloxy)leucine. It belongs to the product categories of Amino Acids; Amino Acids (N-Protected); Biochemistry; Cbz-Amino Acids. This chemical's molecular formula is C₁₄H₁₉NO₄ and molecular weight is 265.31. What's more, its IUPAC name is (2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid. It is stable at common pressure and temperature, and it should be sealed and stored in brown glasses which are placed in a cool and dry place. What's more, it should be protected from light. It can be used as amino acids drugs and nutrition increasing supplements.

Physical properties of N-(Benzyloxycarbonyl)-DL-leucine are: (1)ACD/LogP: 3.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.2; (4)ACD/LogD (pH 7.4): -0.36; (5)ACD/BCF (pH 5.5): 1.67; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.27; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.84 Å²; (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)Enthalpy of Vaporization: 73.8 kJ/mol; (20)Boiling Point: 442.8 °C at 760 mmHg; (21)Vapour Pressure: 1.28E-08 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-benzyloxycarbonylamino-4-methyl-pentanoic acid methyl ester at the ambient temperature. This reaction will need reagent H₂O, NaOH with the reaction time of 16 hours. The yield is about 91%.

Uses of N-(Benzyloxycarbonyl)-DL-leucine: it can be used to produce 1-(2-benzyloxycarbonylamino-4-methyl-pentanoylamino)-cyclohexanecarboxylic acid methyl ester at the temperature of -15 - 4 °C. It will need reagent 1-ethylpiperidine, DCC and solvent CH₂Cl₂ with the reaction time of 25 hours. The yield is about 75%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)CC(C(=O)O)NC(=O)OCC1=CC=CC=C1
(2)Isomeric SMILES: CC(C)C[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1
(3)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
(4)InChIKey: USPFMEKVPDBMCG-LBPRGKRZSA-N