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Home > Encyclopedia > (S)-N-BOC-4-Bromophenylalanine

(S)-N-BOC-4-Bromophenylalanine

(S)-N-BOC-4-Bromophenylalanine structure

(S)-N-BOC-4-Bromophenylalanine 

structure
  • CAS No:

    62129-39-9

  • Formula:

    C14H18BrNO4

  • Chemical Name:

    (S)-N-BOC-4-Bromophenylalanine

  • 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

  • Categories:

    Biochemical Engineering  >  Amino Acids and Derivatives

Description

off-white powder

(S)-N-BOC-4-Bromophenylalanine Basic Attributes

344.2

343.041901

1592732-453-0

2924299090

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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