| Identification | More | [Name]
4-Nitro-3-phenyl-L-alanine | [CAS]
949-99-5 | [Synonyms]
2-AMINO-3-(4-NITROPHENYL)PROPANOIC ACID
4-NITRO-3-PHENYL-L-ALANINE
4-NITRO-L-PHENYLALANINE
H-PHE(4-NO2)-OH
H-P-NITRO-PHE-OH
L-4-NITROPHE
L-4-NITROPHENYLALANINE
P-NITRO-2-PHENYLALANINE
P-NITRO-L-PHENYLALANINE
P-NITRO-PHENYLALANINE
(P-NO2)PHE-OH
RARECHEM BK PT 0073
(S)-2-AMINO-3-(4-NITROPHENYL)PROPANOIC ACID
(S)-4-NITROPHENYLALANINE
(S)-4-NITROPHENYLALANINE HYDRATE
4-nitro-l-phenylalanin
l-3-(p-nitrophenyl)alanine
l-beta-nitrophenylalanine
l-p-nitrophenylalanine
P-NITRO-L-PHENYLALANINE MONOHYDRATE | [EINECS(EC#)]
213-446-8 | [Molecular Formula]
C9H10N2O4 | [MDL Number]
MFCD00051221 | [Molecular Weight]
210.19 | [MOL File]
949-99-5.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powde | [Melting point ]
236-239°C (dec.) | [Boiling point ]
414.1±35.0 °C(Predicted) | [density ]
1.408±0.06 g/cm3(Predicted) | [storage temp. ]
Store at RT. | [solubility ]
Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. | [form ]
Powder | [pka]
2.12±0.10(Predicted) | [Detection Methods]
HPLC | [InChI]
InChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m0/s1 | [InChIKey]
GTVVZTAFGPQSPC-QMMMGPOBSA-N | [SMILES]
C(O)(=O)[C@H](CC1=CC=C([N+]([O-])=O)C=C1)N | [CAS DataBase Reference]
949-99-5(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Danger | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c | [Hazard Codes ]
Xn,C,F | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
R34:Causes burns.
R11:Highly Flammable. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S22:Do not breathe dust .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S16:Keep away from sources of ignition-No smoking . | [RIDADR ]
2811 | [RTECS ]
AY7400000 | [Hazard Note ]
Harmful | [HS Code ]
29224999 |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crystal powde | [Uses]
4-Nitro-L-phenylalanine is used in the studies on the rational manipulation of protein structures for the expansion of the genetic code with non natural amino acids into protein via in vitro translation. | [Synthesis]
General steps:
1. dissolve L-phenylalanine (16.5 g, 100 mmol) in 85% sulfuric acid (50 ml).
2. under stirring conditions, add slowly and dropwise a pre-prepared and cooled to room temperature acid mixture of concentrated nitric acid and concentrated sulfuric acid (1.4:1.1 by volume).
3. Stir the reaction mixture continuously for 5 hours at room temperature.
4. The pH of the reaction solution was adjusted to 2-3 using 40% sodium hydroxide solution, at which time a large amount of precipitate was formed.
5. Collect the precipitate by filtration and wash with deionized water until the filtrate is neutral. 6.
6. Dry the precipitate under reduced pressure to obtain 4-nitro-L-phenylalanine (20 g, yield 95.2%). | [References]
[1] Bioorganic and Medicinal Chemistry, 2009, vol. 17, # 8, p. 3118 - 3125
[2] Patent: US2009/247470, 2009, A1. Location in patent: Page/Page column 12
[3] Bioorganic and Medicinal Chemistry, 2011, vol. 19, # 18, p. 5352 - 5360
[4] Russian Journal of Organic Chemistry, 2016, vol. 52, # 11, p. 1681 - 1685
[5] Zh. Org. Khim., 2016, vol. 52, # 11, p. 1686 - 1690,5 |
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