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673-06-3

Basic Information
CAS No.: 673-06-3
Name: D-Phenylalanine
Article Data: 218
Cas Database
Molecular Structure:
Molecular Structure of 673-06-3 (D-Phenylalanine)
Formula: C9H11NO2
Molecular Weight: 165.192
Synonyms: Alanine, phenyl-, D-;NCI-C60195;phenylalanine D-form;D-alpha-Amino-beta-phenylpropionic acid;CPD-216;Sabiden;D-.beta.-Phenylalanine;(2R)-2-amino-3-phenylpropanoic acid;D-Phenylalanine(673-06-3);H-D-Phe-OH;D-Phenylalanine, (R)-2-Amino-3-phenyl- propionic acid;D-alpha-aminohydrocinnamic acid;
EINECS: 211-603-5
Density: 1.201 g/cm3
Melting Point: 273-276 °C(lit.)
Boiling Point: 307.5 °C at 760 mmHg
Flash Point: 139.8 °C
Solubility: water: 27 g/L (20 °C)
Appearance: white crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 34
Safety: 24/25-45-36/37/39-27-26
Transport Information: N/A
PSA: 63.32000
LogP: 1.34130
Synthetic route
174591-38-9

(3R,6S)-4-N-((S)-1-phenethyl)-3-benzyl-6-methyl-1,4-morpholin-2,5-dione

673-06-3

D-(R)-phenylalanine

Conditions
ConditionsYield
With hydrogen iodide for 1h; Heating;100%
247259-40-1

N-Cbz-O-benzyl phenylalanine

673-06-3

D-(R)-phenylalanine

Conditions
ConditionsYield
With 10% Pd/C; cyclohexa-1,4-diene In methanol at 100℃; for 0.0833333h; Microwave irradiation;100%

C46H34ClN3NiO3

673-06-3

D-(R)-phenylalanine

Conditions
ConditionsYield
With hydrogenchloride In methanol; water at 40℃; for 6h;100%
With hydrogenchloride In methanol; water at 40℃; for 6h;96%
108321-83-1

phenylalanine amide hydrochloride

673-06-3

D-(R)-phenylalanine

Conditions
ConditionsYield
With pyridoxal 5'-phosphate monohydrate In aq. buffer at 40℃; for 6h; pH=8.0; Enzymatic reaction;99%
118460-00-7

(R)-2-azido-3-phenylpropanoic acid

673-06-3

D-(R)-phenylalanine

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In water; acetic acid under 7757.2 Torr; for 1h;97%
16367-71-8

t-butyl (RS)-phenylalaninate

673-06-3

D-(R)-phenylalanine

Conditions
ConditionsYield
95%
136707-23-8

(3R,5R,6S)-4-(benzyloxycarbonyl)-5,6-diphenyl-3-(phenylmethyl)-2,3,5,6-tetrahydro-4H-1,4-oxazin-2-one

673-06-3

D-(R)-phenylalanine

Conditions
ConditionsYield
With hydrogen; palladium dichloride In tetrahydrofuran; ethanol under 2585.7 Torr; for 20h;93%
1202-30-8

D-α-Hydrazino-β-phenyl-propionsaeure

673-06-3

D-(R)-phenylalanine

Conditions
ConditionsYield
With hydrogen; platinum(IV) oxide89%
129568-84-9

(2R,2'R)-N-(2'-amino-3'-phenylpropanoyl)bornane-10,2-sultam

673-06-3

D-(R)-phenylalanine

Conditions
ConditionsYield
With lithium hydroxide In tetrahydrofuran at 20℃;87%
With lithium hydroxide; ion exchange 1.) THF; Yield given. Multistep reaction;
With lithium hydroxide; Amberlite IR-120 1) THF, room temperature, 2) H2O, room temperature, 15 h; Yield given. Multistep reaction;
1004755-20-7

C32H38N2O3

673-06-3

D-(R)-phenylalanine

Conditions
ConditionsYield
Stage #1: C32H38N2O3 With hydrogenchloride; hydrogen; palladium(II) hydroxide/carbon In tetrahydrofuran; water at 50℃; for 48h;
Stage #2: With hydrogenchloride; water for 3.5h; Heating / reflux;
Stage #3: With sodium hydroxide; water pH=2.5; Product distribution / selectivity;
87%
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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

D-Phenylalanine is an essential amino acid. With cas registry number of 673-06-3, it also has other registry number which is 10549-11-8. Its EINECS registry number is 211-603-5. This chemical is also known as Phenylalanine D-form with appearance of white crystalline powder. It is stable, but incompatible with strong oxidizing agents, acids, bases. It belongs to the categories in Benzene derivatives; Aromatic Propionic Acids; Phenylalanine [Phe, F]; Amino Acids and Derivatives; alpha-Amino Acids; Amino Acids; Biochemistry; Amino Acids; chemicals; organic acids; pharmaceutical intermediate; phenlalnine.

Physical properties about this chemical are: (1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.39; (4)ACD/LogD (pH 7.4): -1.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.576; (13)Molar Refractivity: 45.49 cm3; (14)Molar Volume: 137.4 cm3; (15)Surface Tension: 53.5 dyne/cm; (16)Density: 1.201 g/cm3; (17)Flash Point: 139.8 °C; (18)Enthalpy of Vaporization: 57.87 kJ/mol; (19)Boiling Point: 307.5 °C at 760 mmHg; (20)Vapour Pressure: 0.000313 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
Mildly toxic by intraperitoneal route. Human systemic effects by ingestion: nausea, hypermotility, diarrhea. When heated to decomposition, it emits toxic fumes of NOx. It can causes burns. Wear suitable protective clothing, gloves and eye/face protection during using it. Avoid contact with skin and eyes. Take off immediately all contaminated clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Or if you feel unwell, seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H](N)Cc1ccccc1;
(2)InChI: InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1;
(3)InChIKey: COLNVLDHVKWLRT-MRVPVSSYBE

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TDLo oral 500mg/kg/5W-I (500mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

GASTROINTESTINAL: NAUSEA OR VOMITING
Journal of the American College of Toxicology. Vol. 1(3), Pg. 124, 1982.
rat LD50 intraperitoneal 5452mg/kg (5452mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Archives of Biochemistry and Biophysics. Vol. 64, Pg. 319, 1956.