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| CAS No.: | 13139-14-5 |
|---|---|
| Name: | N-[(tert-Butoxy)carbonyl]-L-tryptophan |
| Article Data: | 99 |
| Molecular Structure: | |
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| Formula: | C16H20N2O4 |
| Molecular Weight: | 304.346 |
| Synonyms: | Boc-L-tryptophan;Boc-Trp-OH;N-t-BOC-L-Tryptohan;N-tert-Butoxycarbonyltryptophan;N-tert-Butoxycarbonyl-L-(-)-tryptophan;3-(1H-indol-3-yl)-2-(tert-butoxycarbonylamino)propanoic acid;Tryptophan, N-carboxy-, N-tert-butyl ester, L-;(2S)-3-(1H-indol-3-yl)-2-(tert-butoxycarbonylamino)propanoate;Tryptophan, N-carboxy-, N-tert-butyl ester, L- (8CI);(2S)-3-(1H-indol-3-yl)-2-(tert-butoxycarbonylamino)propanoic acid;N-((1,1-Dimethylethoxy)carbonyl)-L-tryptophan;N-[(1, 1-Dimethylethoxy)carbonyl]-L-tryptophan; |
| EINECS: | 236-072-7 |
| Density: | 1.262 g/cm3 |
| Melting Point: | 136 °C (dec.) |
| Boiling Point: | 535.7 °C at 760 mmHg |
| Flash Point: | 277.8 °C |
| Appearance: | White to off-white granular powder |
| Hazard Symbols: |
 Xn
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| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 22-24/25-36-26 |
| PSA: | 91.42000 |
| LogP: | 3.07920 |
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Specification
The BOC-L-Trp-OH, with the CAS registry number 13139-14-5, is also known as N-((1,1-Dimethylethoxy)carbonyl)-L-tryptophan. It belongs to the product categories of Amino Acids; Tryptophan [Trp, W]; Boc-Amino Acids and Derivative; Amino Acids (N-Protected); Biochemistry; Boc-Amino Acids; Indoles; Tryptophans; Boc-Amino Acid Series. Its EINECS registry number is 236-072-7. This chemical's molecular formula is C16H20N2O4 and molecular weight is 304.341. Its IUPAC name is called (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino] propanoic acid. The product should be sealed and stored in dry place at temperature of 0 °C.
Physical properties of BOC-L-Trp-OH: (1)ACD/LogP: 2.89; (2)ACD/LogD (pH 5.5): 1.01; (3)ACD/LogD (pH 7.4): -0.58; (4)ACD/BCF (pH 5.5): 1.22; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 11.74; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.602; (12)Molar Refractivity: 82.73 cm3; (13)Molar Volume: 241 cm3; (14)Surface Tension: 53.8 dyne/cm; (15)Density: 1.262 g/cm3; (16)Flash Point: 277.8 °C; (17)Enthalpy of Vaporization: 85.49 kJ/mol; (18)Boiling Point: 535.7 °C at 760 mmHg; (19)Vapour Pressure: 2.63E-12 mmHg at 25°C.
Uses of BOC-L-Trp-OH: it can be used to produce Boc-Trp-Leu-OMe. This reaction will need reagent N,N'-dicyclohexylcarbodiimide, 1-hydroxybenztriazole. The yield is about 98%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing. Finally, you must avoid contacting it with skin and eyes.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O
(2)Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O
(3)InChI: InChI=1S/C16H20N2O4/c1-16(2,3)22-15(21)18-13(14(19)20)8-10-9-17-12-7-5-4-6-11(10)12/h4-7,9,13,17H,8H2,1-3H3,(H,18,21)(H,19,20)/t13-/m0/s1
(4)InChIKey: NFVNYBJCJGKVQK-ZDUSSCGKSA-N