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| CAS No.: | 1115-59-9 |
|---|---|
| Name: | Ethyl L-alaninate hydrochloride |
| Article Data: | 32 |
| Molecular Structure: | |
|
|
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| Formula: | C5H11NO2.HCl |
| Molecular Weight: | 153.609 |
| Synonyms: | Alanine,ethyl ester, hydrochloride, L- (6CI,7CI,8CI);L-Alanine, ethyl ester,hydrochloride (9CI);(S)-2-Aminopropionic acid ethyl ester hydrochloride;(S)-Alanine ethyl ester hydrochloride;Ethyl (S)-alaninate hydrochloride;EthylL-alaninate hydrochloride;H-Ala-OEt·HCl; |
| EINECS: | 214-225-9 |
| Melting Point: | 62 °C |
| Boiling Point: | 127.8 °C at 760 mmHg |
| Flash Point: | 3.5 °C |
| Appearance: | White to off-white adhering crystalline powder |
| Hazard Symbols: |
 Xi
|
| Safety: | 24/25 |
| PSA: | 52.32000 |
| LogP: | 1.39900 |
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| Conditions | Yield |
|---|---|
| With thionyl chloride for 4h; Reflux; | 100% |
| With hydrogenchloride for 12h; Reflux; | 99% |
| With thionyl chloride | 99% |
| Conditions | Yield |
|---|---|
| In ethanol | 98% |
- 1115-59-9
(S)-alanine ethyl ester hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride; sodium tetrahydroborate In tetrahydrofuran; water at 20℃; for 2h; Inert atmosphere; Green chemistry; chemoselective reaction; | 91% |
- 51814-53-0
N-tert-butoxycarbonyl-L-alanine ethyl ester
- 1115-59-9
(S)-alanine ethyl ester hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride; water In 1,4-dioxane |
- 1115-59-9
(S)-alanine ethyl ester hydrochloride
- 189060-51-3
(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-acetic acid
- 383662-10-0
ethyl N-[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]-L-alaninate
| Conditions | Yield |
|---|---|
| With diethylphosphoryl cyanide; triethylamine In N,N-dimethyl-formamide at 20℃; for 0.5h; | 100% |
- 1115-59-9
(S)-alanine ethyl ester hydrochloride
- 100-52-7
benzaldehyde
- 142128-23-2
(S,E)-ethyl 2-(benzylideneamino)propanoate
| Conditions | Yield |
|---|---|
| With triethylamine In acetonitrile | 100% |
| Conditions | Yield |
|---|---|
| With triethylamine In ethanol at 20℃; for 2h; | 100% |
| With triethylamine In ethanol at 20 - 60℃; for 2h; | 100% |
- 1115-59-9
(S)-alanine ethyl ester hydrochloride
- 143824-78-6
3-[(S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]indole-1-carboxylic acid tert-butyl ester
- 1578249-27-0
C36H39N3O7
| Conditions | Yield |
|---|---|
| With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 24h; Reagent/catalyst; Solvent; Inert atmosphere; | 100% |
- 1115-59-9
(S)-alanine ethyl ester hydrochloride
- 74-89-5
methylamine
- 33194-35-3
(S)-2-amino-N-methyl-propionamide
| Conditions | Yield |
|---|---|
| In water for 0.5h; | 99% |
| In ethanol at 20℃; for 48h; | 90% |
| In ethanol at 20℃; for 48h; | 90% |
- 1115-59-9
(S)-alanine ethyl ester hydrochloride
- 772-79-2
4-chlorophenylphosphorodichloridate
- 840506-39-0
ethyl N-[chloro(4-chlorophenoxy)phosphoryl]-L-alaninate
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at -78 - 20℃; | 99% |
| With triethylamine In dichloromethane at -78 - 20℃; | |
| In dichloromethane Alkaline conditions; |
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Specification
The Ethyl L-alaninate hydrochloride with CAS registry number of 1115-59-9 is also known as L-Alanine, ethyl ester,hydrochloride (1:1). The IUPAC name is Ethyl (2S)-2-aminopropanoate hydrochloride. It belongs to product categories of Amino Acids; Alanine [Ala, A]; Amino Acids and Derivatives; Amino Hydrochloride; Alanine; Amino Acid Derivatives; Peptide Synthesis. Its EINECS registry number is 214-225-9. In addition, the formula is C5H11NO2.HCl and the molecular weight is 153.61. This chemical is a white to off-white adhering crystalline powder that should be sealed in cool, dry place away from oxidants, water. This chemical may cause inflammation to the skin or other mucous membranes. During using it, avoid contact with skin and eyes.
Physical properties about Ethyl L-alaninate hydrochloride are: (1)ACD/LogP: 0.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.38; (4)ACD/LogD (pH 7.4): -0.67; (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): 4.83; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Flash Point: 3.5 °C; (13)Enthalpy of Vaporization: 36.55 kJ/mol; (14)Boiling Point: 127.8 °C at 760 mmHg; (15)Vapour Pressure: 11 mmHg at 25 °C.
Preparation of Ethyl L-alaninate hydrochloride: it is prepared by reaction of ethanol with L-alanine. The reaction needs reagent SOCl2 and other condition of heating for 2 hours. The yield is about 93%.
Uses of Ethyl L-alaninate hydrochloride: it is used to produce N-Carbonyl-L-alaninethylester by reaction with carbonyl dichloride. The reaction occurs with reagent pyridine and solvents tetrahydrofuran, CH2Cl2 at the temperature of 0 °C for 2 hours. The yield is about 72%.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCOC(=O)C(C)N.Cl
2. Isomeric SMILES: CCOC(=O)[C@H](C)N.Cl
3. InChI: InChI=1S/C5H11NO2.ClH/c1-3-8-5(7)4(2)6;/h4H,3,6H2,1-2H3;1H/t4-;/m0./s1
4. InChIKey: JCXLZWMDXJFOOI-WCCKRBBISA-N