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| CAS No.: | 1132-26-9 |
|---|---|
| Name: | 2-Amino-2-methyl-3-phenylpropionic acid |
| Molecular Structure: | |
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| Formula: | C10H13NO2 |
| Molecular Weight: | 179.219 |
| Synonyms: | 2-Methyl-3-phenylalanine; |
| Density: | 1.166 g/cm3 |
| Melting Point: | 293-294 °C (dec.)(lit.) |
| Boiling Point: | 312.8 °C at 760 mmHg |
| Flash Point: | 143 °C |
| Solubility: | slightly soluble in water |
| Appearance: | white crystalline powder |
| Safety: | 22-24/25 |
| PSA: | 63.32000 |
| LogP: | 1.73140 |
- 144851-82-1METHYL2-AMINO-3-FLUOROBENZOATE
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- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 1219080-61-1IMIDAZOLE-2-BORONIC ACID
| Conditions | Yield |
|---|---|
| With potassium hydroxide; C-9 In dichloromethane at 20℃; | 95% |
- 100-39-0
benzyl bromide
- 117470-83-4
ethyl N-<(4-chlorophenyl)methylene>-DL-alanate
A
- 1132-26-9
2-methyl-3-phenylalanine
B
- 302-72-7
rac-Ala-OH
| Conditions | Yield |
|---|---|
| With tetrabutylammomium bromide; potassium carbonate In acetonitrile for 48h; Product distribution; Heating; further alkylation method; | A 94% B 7% |
- 100-39-0
benzyl bromide
- 126402-81-1
isopropyl 2-[(E)-1-phenylmethylideneamino]propanoate
- 1132-26-9
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% |
- 86778-91-8
(+/-)-N-(tert-butoxycarbonyl)-α-methylphenylalanine
- 1132-26-9
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% |
- 100-39-0
benzyl bromide
- 69555-16-4
ethyl 2-(diphenylmethyleneamino)propanoate
A
- 1132-26-9
2-methyl-3-phenylalanine
B
- 302-72-7
rac-Ala-OH
| Conditions | Yield |
|---|---|
| With tetrabutylammomium bromide; potassium carbonate In acetonitrile for 48h; Product distribution; Heating; further alkylation method; | A 23% B 63% |
- 5874-61-3, 21453-79-2, 51127-19-6, 75658-67-2
4-benzyl-2-phenyl-2-oxazolin-5-one
- 74-88-4
methyl iodide
- 1132-26-9
2-methyl-3-phenylalanine
| Conditions | Yield |
|---|---|
| (i) iPr2NEt, (ii) aq. HCl, AcOH; Multistep reaction; |
- 64298-85-7
methyl-2-benzylideneamino-2-methyl-3-phenylpropanoate
- 1132-26-9
2-methyl-3-phenylalanine
| Conditions | Yield |
|---|---|
| With hydrogenchloride 1.) ether, 12 h, room temp.; 2.) reflux, 4 h; Yield given. Multistep reaction; |
- 46438-07-7
α-methyl-α-carbethoxy-β-phenethylamine
A
- 1132-26-9
2-methyl-3-phenylalanine
B
- 164453-67-2
ethyl (S)-2-amino-2-methyl-3-phenylpropanoate
C
- 22435-99-0
ethyl (R)-2-amino-2-methyl-3-phenylpropanoate
| Conditions | Yield |
|---|---|
| With phosphate buffer; Humicola amino esterase Ambient temperature; Title compound not separated from byproducts; |
- 27993-44-8
5-benzyl-5-methyl-imidazolidine-2,4-dione
- 1132-26-9
2-methyl-3-phenylalanine
| Conditions | Yield |
|---|---|
| With sodium hydroxide Heating; |
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Specification
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.
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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