N-BOC-D/L-PHENYLALANINOL
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N-BOC-D/L-PHENYLALANINOL
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CAS No:
145149-48-0
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Formula:
C14H21NO3
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Chemical Name:
N-BOC-D/L-PHENYLALANINOL
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Synonyms:
AKOS 91528;N-BOC-D/L-PHENYLALANINOL;Boc-DL-Phenylalaninol;N-(tert-Butoxycarbonyl)-DL-phenylalaninol;(R)-tert-butyl 1-hydroxy-3-phenylpropan-2-ylcarbamate;Carbamic acid,N-[1-(hydroxymethyl)-2-phenylethyl]-, 1,1-dimethylethyl ester;2-(tert-Butoxycarbonylamino)-3-phenyl-1-propanol;tert-Butyl (1-hydroxy-3-phenylpropan-2-yl)carbaMate
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CAS No:
Characteristics
58.6
2.3
1.085±0.06 g/cm3(Predicted)
85.0 to 90.0 °C
410.1±38.0 °C(Predicted)
201.8±26.8 °C
1.520
1.84E-07mmHg at 25°C
N-BOC-D/L-PHENYLALANINOL Use and Manufacturing
General procedure: To a magneticallystirred solution of valinol (4d, 2.0 g, 19.4 mmol) and 1 N NaOH (19.4 mL) inTHF (25 mL) in an ice bath, a solution of BocExample 21 Hydrogenation of N-Boc-phenylalanine methyl ester [RuIn a 100 mL round bottom flask with nitrogen atmosphere 2.01 g (13.2 mmol) of phenylalaninol are dissolved in 40 mL dry dichloromethane and cooled in an ice bath to 0 °C. 3.31 g (15.2 mmol) of di-tert-butylcarbonate are added to this solution and stirred overnight in the melting ice bath for 18 hours. Then the mixture is washed with 50 mL of 10percent citric acid in water and 40 mL of brine. Evaporation of the solvent in a rotavap yields 3.35 g of the title compound as an off-white solid (100percent). MS (ESI): 274.0 (M+Na
Computed Properties
Molecular Weight:251.32
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:251.15214353
Monoisotopic Mass:251.15214353
Topological Polar Surface Area:58.6
Heavy Atom Count:18
Complexity:254
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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