CAS No.2577-90-4,methyl 3-phenyl-L-alaninate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2577-90-4
Name:	methyl 3-phenyl-L-alaninate
Article Data:	198

Formula:	C₁₀H₁₃NO₂
Molecular Weight:	179.219
Synonyms:	Methyl 3-phenyl-L-alaninate;
EINECS:	219-934-7
Density:	1.1 g/cm³
Melting Point:	131-133 °C
Boiling Point:	264.2 °C at 760 mmHg
Flash Point:	126 °C
PSA:	52.32000
LogP:	1.42970

Synthetic route

: 67-56-1
methanol

: 63-91-2
L-phenylalanine

: 2577-90-4
methyl (2S)-2-amino-3-phenylpropanoate

Conditions

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

B: 9-benzylthiomethylfluorene

Conditions

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%

...Expand

: 64590-81-4
(E)-α-(N-acylamino)cinnamic acid methyl ester

: 2577-90-4
methyl (2S)-2-amino-3-phenylpropanoate

Conditions

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

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

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

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

Conditions	Yield
In N-methyl-acetamide; water	A 95.5% B n/a

: 150-30-1
Phenylalanine

: 2577-90-4
methyl (2S)-2-amino-3-phenylpropanoate

Conditions

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

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

Conditions	Yield
Bio-Rad AG 50W-X2 In ethanol at 45℃; for 1.5h;	93%

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- China (Mainland)(35)
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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 %.

The L-Phenylalanine, methylester can be obtained by L-Phenylalanine and Methanol.

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 %.

L-Phenylalanine, methylester can be used to produce L-Phenylalanine amide.

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