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Cas Database |
| Name |
L-Phenylalanine methyl ester |
EINECS | 219-934-7 |
| CAS No. | 2577-90-4 | Density | 1.1 g/cm3 |
| PSA | 52.32000 | LogP | 1.42970 |
| Solubility | N/A | Melting Point |
131-133 °C |
| Formula | C10H13NO2 | Boiling Point | 264.2 °C at 760 mmHg |
| Molecular Weight | 179.219 | Flash Point | 126 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Methyl 3-phenyl-L-alaninate; |
Article Data | 198 |
L-Phenylalanine methyl ester Synthetic route
| Conditions | Yield |
|---|---|
| With thionyl chloride | 100% |
| With thionyl chloride at -10 - 20℃; Inert atmosphere; | 100% |
| With thionyl chloride at 0 - 20℃; | 99% |
- 129397-81-5
methyl (((9H-fluoren-9-yl)methoxy)carbonyl)-L-phenylalaninate
- 100-53-8
phenylmethanethiol
A
- 2577-90-4
methyl (2S)-2-amino-3-phenylpropanoate
| Conditions | Yield |
|---|---|
| With tetrabutyl ammonium fluoride In N,N-dimethyl-formamide for 0.0333333h; Product distribution; other protected peptides, other thiol, var. TBAF conc., var. time, var. solvent, with or without ultrasound mixing; | A n/a B 100% |
| With tetrabutyl ammonium fluoride In N,N-dimethyl-formamide for 0.05h; | A n/a B 100% |
- 64590-81-4
(E)-α-(N-acylamino)cinnamic acid methyl ester
- 2577-90-4
methyl (2S)-2-amino-3-phenylpropanoate
| Conditions | Yield |
|---|---|
| With hydrogen; (S)Fc-α-S(C5H5)Fe(C5H3(PPh2)CH(OH)C6H4(PPh2)); [Rh(norbornadiene)2]BF4 In methanol at 25℃; under 750.075 Torr; for 1h; Product distribution / selectivity; | 100% |
| With hydrogen; (S)-1-diphenylphosphino-2-[α-(S)-methoxy(o-diphenylphosphinophenyl)methyl]ferrocene; [Rh(norbornadiene)2]BF4 In methanol at 25℃; under 750.075 Torr; for 1h; Product distribution / selectivity; | 100% |
- 7524-50-7
methyl (2S)-2-amino-3-phenylpropanoate hydrochloride
- 2577-90-4
methyl (2S)-2-amino-3-phenylpropanoate
| Conditions | Yield |
|---|---|
| With Amberlyst A21 In dichloromethane at 0 - 20℃; for 2h; stereoselective reaction; | 99% |
| With Amberlyst A21 resin In dichloromethane at 0 - 20℃; for 2h; Reagent/catalyst; | 99% |
| With potassium carbonate In dichloromethane; water at 20℃; | 97% |
- 35909-92-3
N-carbobenzoxy-L-phenylalanine methyl ester
- 2577-90-4
methyl (2S)-2-amino-3-phenylpropanoate
| Conditions | Yield |
|---|---|
| With hydrogen In methanol at 27℃; under 750.075 Torr; for 2h; Reagent/catalyst; Green chemistry; | 99% |
- 129397-81-5
methyl (((9H-fluoren-9-yl)methoxy)carbonyl)-L-phenylalaninate
- 2577-90-4
methyl (2S)-2-amino-3-phenylpropanoate
| Conditions | Yield |
|---|---|
| With piperazine; diethyl {[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]methylidene}propanedioate In ethanol at 20℃; for 0.5h; | 98% |
| With sodium azide In N,N-dimethyl-formamide at 50℃; for 3h; | 97% |
| With triethylamine; 1-butyl-3-methylimidazolium Tetrafluoroborate In neat (no solvent) at 25℃; Green chemistry; | 82% |
| With aluminium trichloride; N,N-dimethyl-aniline In dichloromethane for 4h; Heating; | |
| With Octanethiol; tetrabutyl ammonium fluoride In N,N-dimethyl-formamide for 0.166667h; Inert atmosphere; |
- 1152-61-0
N-Cbz-L-Asp
A
- 2577-90-4
methyl (2S)-2-amino-3-phenylpropanoate
B
- 33605-72-0
N-carbobenzyloxy-L-aspartyl-L-phenylalanine methyl ester
| Conditions | Yield |
|---|---|
| In N-methyl-acetamide; water | A 95.5% B n/a |
| Conditions | Yield |
|---|---|
| With sodium hydroxide; sulfuric acid In methanol; water | 94.5% |
- 107897-41-6
N-(((tert-butyldimethylsilyl)oxy)carbonyl)phenylalanine methyl ester
- 2577-90-4
methyl (2S)-2-amino-3-phenylpropanoate
| Conditions | Yield |
|---|---|
| With tetrabutyl ammonium fluoride In tetrahydrofuran for 1h; Ambient temperature; | 93% |
- 211567-40-7
(S)-2-(2-Aza-bicyclo[2.2.1]hept-5-en-2-yl)-3-phenyl-propionic acid methyl ester
- 2577-90-4
methyl (2S)-2-amino-3-phenylpropanoate
| Conditions | Yield |
|---|---|
| Bio-Rad AG 50W-X2 In ethanol at 45℃; for 1.5h; | 93% |
L-Phenylalanine methyl ester Specification
The L-Phenylalanine, methylester, with the CAS registry number 2577-90-4, is also known as Methyl 3-phenyl-L-alaninate. Its EINECS registry number is 219-934-7. This chemical's molecular formula is C10H13NO2 and molecular weight is 179.21572. What's more, its systematic name is Methyl L-phenylalaninate.
Physical properties about L-Phenylalanine, methylester are: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 29.54 Å2; (7)Index of Refraction: 1.53; (8)Molar Refractivity: 50.33 cm3; (9)Molar Volume: 162.8 cm3; (10)Polarizability: 19.95×10-24 cm3; (11)Surface Tension: 42 dyne/cm; (12)Density: 1.1 g/cm3; (13)Flash Point: 126 °C; (14)Enthalpy of Vaporization: 50.2 kJ/mol; (15)Boiling Point: 264.2 °C at 760 mmHg; (16)Vapour Pressure: 0.00986 mmHg at 25 °C.
Preparation of L-Phenylalanine, methylester: this chemical is prepared by reaction of L-Phenylalanine with Methanol by heating. The reaction needs reagent Thionyl chloride. The yield is about 95 %.
Uses of L-Phenylalanine, methylester: it is used to produce other chemicals. For example, it is used to produce L-Phenylalanine amide at ambient temperature. The reaction needs reagent aq. NH4OH and solvent Toluene. The reaction time is 16 hours. The yield is about 79 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)[C@@H](N)Cc1ccccc1
(2) InChI: InChI=1/C10H13NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/t9-/m0/s1
(3) InChIKey: VSDUZFOSJDMAFZ-VIFPVBQEBN
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