N-(tert-Butoxycarbonyl)-beta-phenyl-L-phenylalanine
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N-(tert-Butoxycarbonyl)-beta-phenyl-L-phenylalanine
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CAS No:
138662-63-2
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Formula:
C20H23NO4
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Chemical Name:
N-(tert-Butoxycarbonyl)-beta-phenyl-L-phenylalanine
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Synonyms:
boc-β-phenyl-phe-oh;n-(tert-butoxycarbonyl)-β-phenyl-l-phenylalanine;3,3-Diphenyl-L-alanine, N-BOC protected;(S)-2-(tert-butoxycarbonylamino)-3,3-diphenylpropanoic acid;N-Boc-β-phenyl-L-phenylalanine;(S)-N-Boc-2-amino-3,3-diphenylpropionic acid;Boc-L-Dip-OH;Boc-β,β-diphenyl-Ala-OH,Boc-3,3-diphenyl-L-alanine,N-(tert-Butoxycarbonyl)-β-phenyl-L-phenylalanine
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CAS No:
N-(tert-Butoxycarbonyl)-beta-phenyl-L-phenylalanine Basic Attributes
341.4
341.162720
DTXSID70375797
2924299090
Characteristics
75.6
4
1.167±0.06 g/cm3(Predicted)
160 °C (dec.)(lit.)
502.7±50.0 °C(Predicted)
257.8±30.1 °C
1.562
Store at 0°C
29 º (c=1 in chloroform)
Safety Information
IRRITANT
NONH for all modes of transport
3
20/21/22-36/37/38
26-36
Xi,Xn
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
N-(tert-Butoxycarbonyl)-beta-phenyl-L-phenylalanine Use and Manufacturing
Synthesis of L-2-t-butoxycarbonylamino-3, 3-diphenylpropanoic acid An aqueous solution of L-2-amino-3, 3-diphenylpropanoic acid (0.10 g, 0.28 mmol, 92.9percent ee) was adjusted to pH 8-9 with sodium hydrogencarbonate. Ethyl acetate (1.0 mL) and di-t-butyl dicarbonate (0.1 g, 0.45 mmol) were added, and the mixture was stirred at 37°C for 16 hrs. The reaction mixture was allowed to cool to room temperature, adjusted to pH 2 with 6N hydrochloric acid, and partitioned to extract the objective compound into the organic layer. The organic layer was concentrated. Heptane was added to the residue and the mixture was stirred overnight to allow crystal precipitation. The crystals were collected by filtration and dried to give the title compound (97percent ee, SUMICHIRAL OA-4100, hexane:methanol:2-propanol:trifluoroacetic acid=98:1:1:0.1, 220 nm, 1.0 mL/min, rt).
Computed Properties
Molecular Weight:341.4
XLogP3:4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:341.16270821
Monoisotopic Mass:341.16270821
Topological Polar Surface Area:75.6
Heavy Atom Count:25
Complexity:427
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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N-(tert-Butoxycarbonyl)-beta-phenyl-L-phenylalanine
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