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Ethyl L-alaninate hydrochloride

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Name

Ethyl L-alaninate hydrochloride

EINECS 214-225-9
CAS No. 1115-59-9 Density N/A
PSA 52.32000 LogP 1.39900
Solubility N/A Melting Point 62 °C
Formula C5H11NO2.HCl Boiling Point 127.8 °C at 760 mmHg
Molecular Weight 153.609 Flash Point 3.5 °C
Transport Information N/A Appearance White to off-white adhering crystalline powder
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 1115-59-9 (Ethyl L-alaninate hydrochloride) Hazard Symbols IrritantXi
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;

Article Data 32

Ethyl L-alaninate hydrochloride Synthetic route

64-17-5

ethanol

56-41-7

L-alanin

1115-59-9

(S)-alanine ethyl ester hydrochloride

Conditions
ConditionsYield
With thionyl chloride for 4h; Reflux;100%
With hydrogenchloride for 12h; Reflux;99%
With thionyl chloride99%
56-41-7

L-alanin

1115-59-9

(S)-alanine ethyl ester hydrochloride

Conditions
ConditionsYield
In ethanol98%

ethyl 2-nitropropanoate

1115-59-9

(S)-alanine ethyl ester hydrochloride

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With triethylamine In acetonitrile100%
1115-59-9

(S)-alanine ethyl ester hydrochloride

104-88-1

4-chlorobenzaldehyde

L-alanine ethyl ester-p-chlorobenzyl shiff base

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With triethylamine In dichloromethane at -78 - 20℃;99%
With triethylamine In dichloromethane at -78 - 20℃;
In dichloromethane Alkaline conditions;

Ethyl L-alaninate hydrochloride 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%.

Ethyl L-alaninate hydrochloride is prepared by reaction of ethanol with L-alanine.

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%.

Ethyl L-alaninate hydrochloride is used to produce N-Carbonyl-L-alaninethylester by reaction with carbonyl dichloride.

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

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