BOC-L-3-Methylphe
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BOC-L-3-Methylphe
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CAS No:
114873-06-2
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Formula:
C15H21NO4
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Chemical Name:
BOC-L-3-Methylphe
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Synonyms:
Boc-L-3-Me-Phe-OH;BOC-L-3-METHYL-PHE-OH;L-Phenylalanine,N-[(1,1-diMethylethoxy)carbonyl]-3-Methyl-;Boc-L-3-Me-Phe-OHBoc-3-Methy-L-Phenylalanine;Boc-3-Methyl-L-phenylalanine Boc-M-Me-Phe-OH;N-Boc-3-Methyl-L-phenylalanine, 98%;BOC-PHE(3-ME)-OH, >=98.0%;(S)-2-Boc-2-amino-3-(3-methylphenyl)propionic acid
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CAS No:
Characteristics
75.6
2.5
Solid
1.140±0.06 g/cm3(Predicted)
70°C
439.9±40.0 °C(Predicted)
219.9±27.3 °C
1.527
125 º (c=1,MeOH)
BOC-L-3-Methylphe Use and Manufacturing
A solution of L-3-methylphenylalanine (448 mg, 2.5 MMOL) in a mixture of dioxane/water (2: 1, 5 ml) and 1M sodium hydroxide (1.5 ml) was stirred and cooled in an ice-water bath. Di-tert-butyl dicarbonate (600 mg, 2.75 MMOL) was added and stirring was continued at room temperature. The reaction was T monitored by tic (ethyl ACETATE/METHANOL/WATER 5: 1: 1). After 18 hours, the solution was CONCENTRATED IN VACUO, acidified with 10percent citric acid solution to pH 2-3 and extracted with ethyl acetate. The extract was washed with brine, dried (MGSO4) and evaporated to give the product as an oil, 680 mg (97percent), HPIC/MS Rt 4.18, M/Z 204 (M-TBUOH-H ).
Computed Properties
Molecular Weight:279.33
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:279.14705815
Monoisotopic Mass:279.14705815
Topological Polar Surface Area:75.6
Heavy Atom Count:20
Complexity:348
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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