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| CAS No.: | 17966-67-5 |
|---|---|
| Name: | BENZOYL-DL-LEUCINE |
| Article Data: | 37 |
| Molecular Structure: | |
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| Formula: | C13H17 N O3 |
| Molecular Weight: | 235.283 |
| Synonyms: | DL-Leucine,N-benzoyl-;Leucine, N-benzoyl-, DL- (8CI);Benzoyl-DL-leucine;DL-Bz-Leucine;DL-N-Benzoylleucine;N-Benzoyl-DL-leucine;NSC 164029; |
| Density: | 1.132 g/cm3 |
| Melting Point: | 141-142 °C |
| Boiling Point: | 458.8 °C at 760 mmHg |
| Flash Point: | 231.3 °C |
| Safety: | 22-24/25 |
| PSA: | 66.40000 |
| LogP: | 2.30660 |
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Specification
The CAS register number of Leucine, N-benzoyl- is 179811-63-3. It also can be called as Benzoyl-DL-leucine and the systematic name about this chemical is N-benzoyl-L-leucine. The molecular formula about this chemical is C13H17NO3 and the molecular weight is 235.28.
Physical properties about Leucine, N-benzoyl- are: (1)ACD/LogP: 2.07; (2)ACD/LogD (pH 5.5): 0.2; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 4.3; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 46.61 Å2; (11)Index of Refraction: 1.533; (12)Molar Refractivity: 64.52 cm3; (13)Molar Volume: 207.6 cm3; (14)Polarizability: 25.57x10-24cm3; (15)Surface Tension: 44.3 dyne/cm; (16)Density: 1.132 g/cm3; (17)Flash Point: 231.3 °C; (18)Enthalpy of Vaporization: 75.78 kJ/mol; (19)Boiling Point: 458.8 °C at 760 mmHg; (20)Vapour Pressure: 3.26E-09 mmHg at 25 °C.
Preparation: this chemical can be prepared by benzamide，3-methyl-but-2-en-1-ol and carbon monoξde. This reaction will need reagent H2, solvent dioxane and catalytic agent Co2(CO)8, HRh(CO)(PPh3)3. The reaction time is 12 hour(s) with reaction temperature of 110 °C. The reaction pressure is 60800.004 - 83600.06. The yield is about 66%.
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Uses of Leucine, N-benzoyl-: it can be used to produce N-(N-benzoyl-leucyl)-glycine ethyl ester with azidoacetic acid ethyl ester. This reaction will need reagent Bu3P, Ph2Se2 and solvent acetonitrile. The reaction time is 5 hour(s) with ambient temperature. The yield is about 93%.
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When you are using this chemical, please be cautious about it as the following:
When you are using this chemical, do not breathe dust and avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N[C@H](C(=O)O)CC(C)C)c1ccccc1
(2)InChI: InChI=1/C13H17NO3/c1-9(2)8-11(13(16)17)14-12(15)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,15)(H,16,17)/t11-/m0/s1
(3)InChIKey: POLGZPYHEPOBFG-NSHDSACABX
(4)Std. InChI: InChI=1S/C13H17NO3/c1-9(2)8-11(13(16)17)14-12(15)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,15)(H,16,17)/t11-/m0/s1
(5)Std. InChIKey: POLGZPYHEPOBFG-NSHDSACASA-N