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Cas Database |
| Name |
4-Nitro-3-phenyl-L-alanine |
EINECS | 213-446-8 |
| CAS No. | 949-99-5 | Density | 1.408 g/cm3 |
| PSA | 109.14000 | LogP | 1.77270 |
| Solubility | very soluble in water | Melting Point |
236-239 °C (dec.) |
| Formula | C9H10N2O4 | Boiling Point | 414.1 °C at 760 mmHg |
| Molecular Weight | 210.189 | Flash Point | 204.2 °C |
| Transport Information | N/A | Appearance | white to light yellow crystal powder |
| Safety | 26-36/37/39-22-45-16 | Risk Codes | 36/37/38-22-34-11 |
| Molecular Structure |
|
Hazard Symbols |
 Xn, C, F
|
| Synonyms |
L-Phenylalanine,4-nitro-;Alanine,3-(p-nitrophenyl)-, L- (8CI);(S)-4-Nitrophenylalanine;3-(4-Nitrophenyl)-L-alanine;4-Nitro-L-phenylalanine;L-4-Nitrophenylalanine;L-p-Nitrophenylalanine;NSC 152925;p-Nitro-L-phenylalanine;p-Nitrophenylalanine;H-Phe(4-NO2)-OH; |
Article Data | 77 |
4-Nitro-3-phenyl-L-alanine Synthetic route
| Conditions | Yield |
|---|---|
| Stage #1: L-phenylalanine With sulfuric acid; nitric acid at 20℃; for 5h; Stage #2: With sodium hydroxide pH=2 - 3; | 95.2% |
| Stage #1: L-phenylalanine With sulfuric acid; nitric acid In water at 20℃; Stage #2: With sodium hydroxide In water pH=2 - 3; | 95.2% |
| Stage #1: L-phenylalanine With sulfuric acid; nitric acid at 10℃; for 2.5h; Stage #2: With ammonia In water pH=5 - 6; | 94% |
- 17363-92-7
N-acetyl-4-nitro-L-phenylalanine
- 949-99-5
4-nitro-3-phenyl-L-alanine
| Conditions | Yield |
|---|---|
| With Acylase I enzyme from porcine kidney; water at 24.9℃; Rate constant; | 83% |
| With hydrogenchloride |
| Conditions | Yield |
|---|---|
| With ammonium hydroxide; borane-ammonia complex In aq. buffer at 37℃; pH=9.6; Enzymatic reaction; | 57% |
| With ammonium bisulphate; EncP-R299K variant at 55℃; for 22h; pH=8.3; Enzymatic reaction; stereoselective reaction; | n/a |
- 1991-83-9, 2922-40-9, 56613-61-7, 949-99-5
4-nitrophenylalanine
- 949-99-5
4-nitro-3-phenyl-L-alanine
| Conditions | Yield |
|---|---|
| With sodium hydroxide; oxygen at 30℃; for 42h; pH=7.3; aq. buffer; Enzymatic reaction; optical yield given as %ee; enantioselective reaction; | 51% |
- 619-89-6
p-nitrocinnamic acid
A
- 501120-99-6
(R)-3-amino-3-(4'-nitrophenyl)propanoic acid
B
- 949-99-5
4-nitro-3-phenyl-L-alanine
| Conditions | Yield |
|---|---|
| With ammonia at 25℃; pH=9; Kinetics; aq. buffer; Enzymatic reaction; regioselective reaction; | A 8% B n/a |
- 101468-97-7
N-benzoyl-(4'-nitro)phenylalanine
- 949-99-5
4-nitro-3-phenyl-L-alanine
| Conditions | Yield |
|---|---|
| With acylase-substance from pseudomonas |
- 81677-60-3
(L)-p-Nitrophenylalanine methyl ester
- 949-99-5
4-nitro-3-phenyl-L-alanine
| Conditions | Yield |
|---|---|
| With water; chymotrypsin at 25℃; Rate constant; |
- 62561-97-1
N-acetyl-4-nitro-DL-phenylalanine
- 949-99-5
4-nitro-3-phenyl-L-alanine
| Conditions | Yield |
|---|---|
| With phosphate buffer; acylase I from porcine kidney at 24.9℃; for 2h; |
- 56-40-6
glycine
- 100-11-8
1-bromomethyl-4-nitro-benzene
A
- 949-99-5
4-nitro-3-phenyl-L-alanine
B
- 56613-61-7
(R)-4-nitro-phenylalanine
| Conditions | Yield |
|---|---|
| Stage #1: glycine With pyridine-2-carboxylic acid(2-benzoyl-phenyl)-amide; sodium methylate; nickel(II) nitrate In methanol for 0.333333h; Heating; Stage #2: 1-bromomethyl-4-nitro-benzene With sodium hydroxide; (R)-2-amino-2'-hydroxy-1,1'-binaphthyl In dichloromethane at 20℃; for 0.0666667h; Stage #3: With hydrogenchloride In methanol; water Heating; |
- 38335-24-9
3-(4-nitrophenyl)-2-oxopropanoic acid
- 949-99-5
4-nitro-3-phenyl-L-alanine
| Conditions | Yield |
|---|---|
| With Celite; phenylalanine dehydrogenase N145A; potassium chloride; ammonium chloride; 1,4-dihydronicotinamide adenine dinucleotide In ethanol at 20℃; for 18h; pH=8.5; |
4-Nitro-3-phenyl-L-alanine Chemical Properties
IUPAC Name: (2S)-2-Amino-3-(4-nitrophenyl)propanoic acid
Molecular Formula: C9H10N2O4
Molecular Weight: 210.186700 g/mol
Appearance: white to light yellow crystal powde
Melting Point: 222-223 °C
EINECS: 213-446-8
Density: 1.408g/cm3
Flash Point: 204.2 °C
storage temp.: Store at RT.
Solubility in water: Very soluble
Boiling Point: 414.1 °C at 760mmHg
Product Categories of 4-Nitro-3-phenyl-L-alanine (949-99-5): Amino Acids;Phenylalanine analogs and other aromatic alpha amino acids;Amino ACIDS SERIES;chiral;Phenylalanine [Phe, F]
4-Nitro-3-phenyl-L-alanine Toxicity Data With Reference
Toxicity Information of 4-Nitro-3-phenyl-L-alanine (949-99-5):
1.mouse LD50 intravenous 180mg/kg (180mg/kg)
U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03822
4-Nitro-3-phenyl-L-alanine Safety Profile
Safety Information of 4-Nitro-3-phenyl-L-alanine (949-99-5):
Hazard Codes: Xn 
,C 
,F 
Risk Statements: 36/37/38-22-34-11
36/37/38:Irritating to eyes, respiratory system and skin
22:Harmful if swallowed
34:Causes burns
11:Highly Flammable
Safety Statements: 26-36/37/39-22-45-16
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
22:Do not breathe dust
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
16:Keep away from sources of ignition - No smoking
RIDADR: 2811
RTECS: AY7400000
Hazard Note: Harmful
4-Nitro-3-phenyl-L-alanine Specification
4-Nitro-3-phenyl-L-alanine , its cas register number is 949-99-5. It also can be called P-Nitro-phenylalanine ; P-Nitro-L-phenylalanine ; P-Nitro-2-phenylalanine ; (s)-4-Nitrophenylalanine ; (s)-4-Nitrophenylalanine hydrate ; (s)-2-Amino-3-(4-nitrophenyl)propanoic acid ; Rarechem bk pt 0073 ; and 4-Nitro-L-Phenylalanine Monohydrate .
First aid measures of 4-Nitro-3-phenyl-L-alanine (949-99-5) are as following. If product was ingested ,seek medical assistance immediately. When inhalation, move victim to fresh air. Apply artificial respiration if victim is not breathing. Do not use mouth-to-mouth method if victim ingested or inhaled the substance; induce artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device. Administer oxygen if breathing is difficult. While on skin, remove and isolate contaminated clothing and shoes. Immediately flush with running water for at least 20 minutes. For minor skin contact, avoid spreading material on unaffected skin. When in eyes, immediately flush with running water for at least 20 minutes.
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