(S)-N-BOC-4-Bromophenylalanine
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(S)-N-BOC-4-Bromophenylalanine
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CAS No:
62129-39-9
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Formula:
C14H18BrNO4
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Chemical Name:
(S)-N-BOC-4-Bromophenylalanine
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Synonyms:
BOC-PHE(4-BR)-OH;BOC-P-BROMO-L-PHE-OH;BOC-P-BROMO-PHENYLALANINE;BOC-P-BROMO-PHE-OH;BOC-PHE(P-BR)-OH;BOC-L-PHE(4-BR)-OH;BOC-(S)-2-AMINO-3-(4'-BROMOPHENYL)PROPANOIC ACID;BOC-4'-BROMO-L-PHE
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CAS No:
Characteristics
75.6
2.5
off-white powder
1.4±0.1 g/cm3
118 °C
475.3°C at 760 mmHg
241.2±27.3 °C
1.551
Slightly soluble in water.
Store at RT.
Safety Information
IRRITANT
NONH for all modes of transport
3
24/25
Xi
|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
(S)-N-BOC-4-Bromophenylalanine Use and Manufacturing
To a solution of (S)-2-amino3-(4-bromophenyl)propanoic acid (7.3 g, 30.0 mmol) in methanol (50 mL) and water (50mL) was added (Boc)2O (6.9g, 31.5mmol) drop wise. This mixture was stirred at room temperature overnight. Then the solvent was evaporated. The residue was adjusted to pH=5 and extracted with EA (10mL x 3). The organic layer wascombined, dried (Na2SO4) and concentrated to give PZ1034-1 (10.0g, 96.9percent yield) as awhite solid, which was used without further purification.Compound 1 of example BTo a solution of (S)-2-amino-3-(4-bromophenyl)propanoic acid (2.44 g, 10 mmol) in methanol (20 mL) and water (20 mL) was added (Boc)
Computed Properties
Molecular Weight:344.20
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:343.04192
Monoisotopic Mass:343.04192
Topological Polar Surface Area:75.6
Heavy Atom Count:20
Complexity:346
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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