N-tert-Butoxycarbonyl-D-phenylalanine
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N-tert-Butoxycarbonyl-D-phenylalanine
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CAS No:
18942-49-9
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Formula:
C14H19NO4
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Chemical Name:
N-tert-Butoxycarbonyl-D-phenylalanine
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Synonyms:
D-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-;Alanine,N-carboxy-3-phenyl-,N-tert-butyl ester,D-;N-[(1,1-Dimethylethoxy)carbonyl]-D-phenylalanine;N-tert-Butoxycarbonyl-D-phenylalanine;tert-Butoxycarbonyl-D-phenylalanine;BOC-D-phenylalanine;(R)-N-(tert-Butoxycarbonyl)phenylalanine;N-BOC-D-phenylalanine;N-tert-Butyloxycarbonyl-D-phenylalanine;(2R)-2-(tert-Butoxycarbonylamino)-3-phenylpropanoic acid;(R)-2-[(tert-Butoxycarbonyl)amino]-3-phenylpropionic acid;(2R)-2-[(tert-Butoxycarbonyl)amino]-3-phenylpropionic acid;(R)-2-(tert-Butoxycarbonylamino)-3-phenylpropanoic acid;tert-Butyloxycarbonyl-D-phenylalanine;(R)-2-((tert-Butoxycarbonyl)amino)-3-phenylpropionic acid;(2R)-2-[[(tert-Butoxy)carbonyl]amino]-3-phenylpropanoic acid;(2R)-2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
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CAS No:
N-tert-Butoxycarbonyl-D-phenylalanine Basic Attributes
265.3
265.30
3593396
1533716-785-6
DTXSID50348469
29242990
Characteristics
75.6
2.2
White Fine Crystalline Powder
1.2±0.1 g/cm3
88-89 °C
426.6°C at 760 mmHg
211.8±26.8 °C
1.528
H2O: insoluble
2-8°C
4.88E-08mmHg at 25°C
-26 º (c=2,ethanol)
Safety Information
NONH for all modes of transport
3
24/25
Xi
P264, P280, P305+P351+P338, P33, P313
H319
|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 5 companies from 3 notifications to the ECHA C&L Inventory.
N-tert-Butoxycarbonyl-D-phenylalanine Use and Manufacturing
L-Phenylalanine is suspended in dioxane solution, and acylated with tert-butoxycarbonyl azide to obtain crude product, which is obtained by ether extraction, hydrochloric acid acidification and recrystallization purification.
Boc-D-Phenylalanine is used in the synthesis of benzo[de][1,7]napthyridinones as PARP1 inhibitors. Also it is an important reagent in the preparation of proline-containing, β-turn mimetic cycle tetrapeptides.
Computed Properties
Molecular Weight:265.30
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:265.13140809
Monoisotopic Mass:265.13140809
Topological Polar Surface Area:75.6
Heavy Atom Count:19
Complexity:316
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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N-tert-Butoxycarbonyl-D-phenylalanine
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