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Name |
2-Amino-2-methyl-3-phenylpropionic acid |
EINECS | N/A |
CAS No. | 1132-26-9 | Density | 1.166 g/cm3 |
PSA | 63.32000 | LogP | 1.73140 |
Solubility | slightly soluble in water | Melting Point |
293-294 °C (dec.)(lit.) |
Formula | C10H13NO2 | Boiling Point | 312.8 °C at 760 mmHg |
Molecular Weight | 179.219 | Flash Point | 143 °C |
Transport Information | N/A | Appearance | white crystalline powder |
Safety | 22-24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Methyl-3-phenylalanine; |
Article Data | 23 |
Conditions | Yield |
---|---|
With potassium hydroxide; C-9 In dichloromethane at 20℃; | 95% |
benzyl bromide
ethyl N-<(4-chlorophenyl)methylene>-DL-alanate
A
2-methyl-3-phenylalanine
B
rac-Ala-OH
Conditions | Yield |
---|---|
With tetrabutylammomium bromide; potassium carbonate In acetonitrile for 48h; Product distribution; Heating; further alkylation method; | A 94% B 7% |
benzyl bromide
isopropyl 2-[(E)-1-phenylmethylideneamino]propanoate
2-methyl-3-phenylalanine
Conditions | Yield |
---|---|
Stage #1: benzyl bromide; isopropyl 2-[(E)-1-phenylmethylideneamino]propanoate With cesium hydroxide; (R,R)-TADDOL In toluene at 15 - 20℃; for 12h; Alkylation; benzylation; Stage #2: With hydrogenchloride In water; toluene Hydrolysis; Heating; | 94% |
(+/-)-N-(tert-butoxycarbonyl)-α-methylphenylalanine
2-methyl-3-phenylalanine
Conditions | Yield |
---|---|
With hydrogenchloride In tetrahydrofuran for 2h; Ambient temperature; | 89% |
With ammonium hydroxide; silica gel; trifluoroacetic acid 1.) MeOH; Yield given. Multistep reaction; |
Conditions | Yield |
---|---|
Stage #1: benzyl bromide; N-benzylidene-D,L-alanine isopropyl ester With sodium hydroxide; tetraethylammonium bromide; (R,R)-TADDOL In toluene at 15 - 20℃; for 12h; Substitution; Stage #2: With hydrogenchloride In water for 0.25h; Hydrolysis; Further stages.; | 83% |
benzyl bromide
ethyl 2-(diphenylmethyleneamino)propanoate
A
2-methyl-3-phenylalanine
B
rac-Ala-OH
Conditions | Yield |
---|---|
With tetrabutylammomium bromide; potassium carbonate In acetonitrile for 48h; Product distribution; Heating; further alkylation method; | A 23% B 63% |
4-benzyl-2-phenyl-2-oxazolin-5-one
methyl iodide
2-methyl-3-phenylalanine
Conditions | Yield |
---|---|
(i) iPr2NEt, (ii) aq. HCl, AcOH; Multistep reaction; |
methyl-2-benzylideneamino-2-methyl-3-phenylpropanoate
2-methyl-3-phenylalanine
Conditions | Yield |
---|---|
With hydrogenchloride 1.) ether, 12 h, room temp.; 2.) reflux, 4 h; Yield given. Multistep reaction; |
α-methyl-α-carbethoxy-β-phenethylamine
A
2-methyl-3-phenylalanine
B
ethyl (S)-2-amino-2-methyl-3-phenylpropanoate
C
ethyl (R)-2-amino-2-methyl-3-phenylpropanoate
Conditions | Yield |
---|---|
With phosphate buffer; Humicola amino esterase Ambient temperature; Title compound not separated from byproducts; |
5-benzyl-5-methyl-imidazolidine-2,4-dione
2-methyl-3-phenylalanine
Conditions | Yield |
---|---|
With sodium hydroxide Heating; |
This chemical is called 2-Amino-2-methyl-3-phenylpropionic acid, and its systematic name is α-methylphenylalanine. The CAS registry number is 1132-26-9. In addition, this chemical is white crystalline powder, and it's soluble in 80% acetic acid, slightly soluble in water. However, it should be stored at the temperature of RT.
Other characteristics of the 2-Amino-2-methyl-3-phenylpropionic acid can be summarised as followings: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.03; (4)ACD/LogD (pH 7.4): -1.05; (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)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 50.13 cm3; (15)Molar Volume: 153.6 cm3; (16)Polarizability: 19.87×10-24cm3; (17)Surface Tension: 50.4 dyne/cm; (18)Density: 1.166 g/cm3; (19)Flash Point: 143 °C; (20)Enthalpy of Vaporization: 58.47 kJ/mol; (21)Boiling Point: 312.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000221 mmHg at 25°C.
Production method of this chemical: The 2-Amino-2-methyl-3-phenylpropionic acid could be obtained by the reactant of (+/-)-N-(tert-butoxycarbonyl)-a-methylphenylalanine. This reaction needs the reagent of aq. HCl, and the solvent of tetrahydrofuran. The yield is 89 %. In addition, this reaction should be taken for 2 hours at the ambient temperature.
Uses of this chemical: The 2-Amino-2-methyl-3-phenylpropionic acid could react with phthalic acid anhydride, and obtain the 2-methyl-3-phenyl-2-phthalimido-propionic acid. The yield is 75 %. In addition, this reaction should be taken for 30 minutes at the temperature of 140 °C.
When you are using this chemical, please be cautious about it as the following: Do not breathe dust. Avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)C(N)(Cc1ccccc1)C
2.InChI: InChI=1/C10H13NO2/c1-10(11,9(12)13)7-8-5-3-2-4-6-8/h2-6H,7,11H2,1H3,(H,12,13)
3.InChIKey: HYOWVAAEQCNGLE-UHFFFAOYAP