Product Name

  • Name

    Ethyl L-alaninate hydrochloride

  • EINECS 214-225-9
  • CAS No. 1115-59-9
  • Article Data32
  • CAS DataBase
  • Density
  • Solubility
  • 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
  • Appearance White to off-white adhering crystalline powder
  • Safety 24/25
  • Risk Codes
  • 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;
  • PSA 52.32000
  • LogP 1.39900

Synthetic route

ethanol
64-17-5

ethanol

L-alanin
56-41-7

L-alanin

(S)-alanine ethyl ester hydrochloride
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%
L-alanin
56-41-7

L-alanin

(S)-alanine ethyl ester hydrochloride
1115-59-9

(S)-alanine ethyl ester hydrochloride

Conditions
ConditionsYield
In ethanol98%
ethyl 2-nitropropanoate

ethyl 2-nitropropanoate

(S)-alanine ethyl ester hydrochloride
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%
N-tert-butoxycarbonyl-L-alanine ethyl ester
51814-53-0

N-tert-butoxycarbonyl-L-alanine ethyl ester

(S)-alanine ethyl ester hydrochloride
1115-59-9

(S)-alanine ethyl ester hydrochloride

Conditions
ConditionsYield
With hydrogenchloride; water In 1,4-dioxane
(S)-alanine ethyl ester hydrochloride
1115-59-9

(S)-alanine ethyl ester hydrochloride

(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
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

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
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%
(S)-alanine ethyl ester hydrochloride
1115-59-9

(S)-alanine ethyl ester hydrochloride

benzaldehyde
100-52-7

benzaldehyde

(S,E)-ethyl 2-(benzylideneamino)propanoate
142128-23-2

(S,E)-ethyl 2-(benzylideneamino)propanoate

Conditions
ConditionsYield
With triethylamine In acetonitrile100%
(S)-alanine ethyl ester hydrochloride
1115-59-9

(S)-alanine ethyl ester hydrochloride

4-chlorobenzaldehyde
104-88-1

4-chlorobenzaldehyde

L-alanine ethyl ester-p-chlorobenzyl shiff base

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%
(S)-alanine ethyl ester hydrochloride
1115-59-9

(S)-alanine ethyl ester hydrochloride

3-[(S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]indole-1-carboxylic acid tert-butyl ester
143824-78-6

3-[(S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]indole-1-carboxylic acid tert-butyl ester

C36H39N3O7
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%
(S)-alanine ethyl ester hydrochloride
1115-59-9

(S)-alanine ethyl ester hydrochloride

methylamine
74-89-5

methylamine

(S)-2-amino-N-methyl-propionamide
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%
(S)-alanine ethyl ester hydrochloride
1115-59-9

(S)-alanine ethyl ester hydrochloride

4-chlorophenylphosphorodichloridate
772-79-2

4-chlorophenylphosphorodichloridate

ethyl N-[chloro(4-chlorophenoxy)phosphoryl]-L-alaninate
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;
N-phenyl-N-methylcarbamoyl chloride
4285-42-1

N-phenyl-N-methylcarbamoyl chloride

(S)-alanine ethyl ester hydrochloride
1115-59-9

(S)-alanine ethyl ester hydrochloride

(S)-ethyl 2-(3-methyl-3-phenylureido)propanoate

(S)-ethyl 2-(3-methyl-3-phenylureido)propanoate

Conditions
ConditionsYield
With triethylamine In acetonitrile for 20h; Reflux;99%
(S)-alanine ethyl ester hydrochloride
1115-59-9

(S)-alanine ethyl ester hydrochloride

2,3,6-tri-O-acetyl-4-O-[2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl]-β-D-glucopyranosyl isothiocyanate
77489-36-2, 81319-58-6, 99945-30-9, 81319-57-5

2,3,6-tri-O-acetyl-4-O-[2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl]-β-D-glucopyranosyl isothiocyanate

N-{[(2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl)-(1→4)-2,3,6-tri-O-acetyl-β-D-glucopyranosylamino]thioxomethyl}alanine ethyl ester
1353744-44-1

N-{[(2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl)-(1→4)-2,3,6-tri-O-acetyl-β-D-glucopyranosylamino]thioxomethyl}alanine ethyl ester

Conditions
ConditionsYield
With pyridine In benzene at 20℃; for 5h;98.3%
(S)-alanine ethyl ester hydrochloride
1115-59-9

(S)-alanine ethyl ester hydrochloride

L-Alanine ethyl ester
3082-75-5

L-Alanine ethyl ester

Conditions
ConditionsYield
With triethylamine In chloroform at 20℃; for 7h; Reflux;98%
With triethylamine In water at 20℃; for 0.5h;86%
With sodium hydroxide In dichloromethane at 20℃; for 0.166667h;60%
4-iodobenzoic acid
619-58-9

4-iodobenzoic acid

(S)-alanine ethyl ester hydrochloride
1115-59-9

(S)-alanine ethyl ester hydrochloride

N-(4-iodobenzoyl)-L-alanine ethyl ester
1072115-61-7

N-(4-iodobenzoyl)-L-alanine ethyl ester

Conditions
ConditionsYield
Stage #1: 4-iodobenzoic acid With benzotriazol-1-ol; 1,2-dichloro-ethane In dichloromethane at 20℃; for 0.166667h;
Stage #2: (S)-alanine ethyl ester hydrochloride With triethylamine In dichloromethane at 0 - 20℃;		98%
(S)-alanine ethyl ester hydrochloride
1115-59-9

(S)-alanine ethyl ester hydrochloride

benzyl bromide
100-39-0

benzyl bromide

(S)-ethyl 2-(dibenzylamino)propanoate
171815-89-7

(S)-ethyl 2-(dibenzylamino)propanoate

Conditions
ConditionsYield
With potassium carbonate In acetonitrile at 70℃; for 14h;98%
6-(2-methoxyphenyl)pyrimidin-4-amine
1142004-97-4

6-(2-methoxyphenyl)pyrimidin-4-amine

(S)-alanine ethyl ester hydrochloride
1115-59-9

(S)-alanine ethyl ester hydrochloride

2-{3-[6-(2-methoxy-phenyl)-pyrimidin-4-yl]-ureido}-propionic acid ethyl ester
1142005-76-2

2-{3-[6-(2-methoxy-phenyl)-pyrimidin-4-yl]-ureido}-propionic acid ethyl ester

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine; phenyl chloroformate In 1,4-dioxane; dichloromethane at -78 - 70℃;97.8%
t-Boc-L-valine
13734-41-3

t-Boc-L-valine

(S)-alanine ethyl ester hydrochloride
1115-59-9

(S)-alanine ethyl ester hydrochloride

Boc-Val-Ala-OEt

Boc-Val-Ala-OEt

Conditions
ConditionsYield
Stage #1: (S)-alanine ethyl ester hydrochloride With triethylamine In dichloromethane
Stage #2: t-Boc-L-valine In dichloromethane at 25℃; Inert atmosphere;		97%
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 0℃;
(E)-3-phenyl-2-pentenoic acid
1528-58-1

(E)-3-phenyl-2-pentenoic acid

(S)-alanine ethyl ester hydrochloride
1115-59-9

(S)-alanine ethyl ester hydrochloride

ethyl (E)-(3-phenylpent-2-enoyl)-L-alaninate

ethyl (E)-(3-phenylpent-2-enoyl)-L-alaninate

Conditions
ConditionsYield
Stage #1: (E)-3-phenyl-2-pentenoic acid With dmap In dichloromethane at 0℃; for 0.25h;
Stage #2: (S)-alanine ethyl ester hydrochloride With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; for 6h;		97%
2,3-Dichloro-1,4-naphthoquinone
117-80-6

2,3-Dichloro-1,4-naphthoquinone

(S)-alanine ethyl ester hydrochloride
1115-59-9

(S)-alanine ethyl ester hydrochloride

(S)-(+)-N-3-(chloro-1,4-naphthoquinon-2-yl)alanine ethyl ester
909797-05-3

(S)-(+)-N-3-(chloro-1,4-naphthoquinon-2-yl)alanine ethyl ester

Conditions
ConditionsYield
With potassium carbonate In ethanol at 110℃; for 3h;96%
(S)-alanine ethyl ester hydrochloride
1115-59-9

(S)-alanine ethyl ester hydrochloride

4-methoxy-aniline
104-94-9

4-methoxy-aniline

1H-imidazole-1-carbodithioic acid methyl ester
74734-11-5

1H-imidazole-1-carbodithioic acid methyl ester

(S)-3-(4-methoxyphenyl)-5-methyl-2-thioxoimidazolidin-4-one

(S)-3-(4-methoxyphenyl)-5-methyl-2-thioxoimidazolidin-4-one

Conditions
ConditionsYield
With triethylamine In ethanol Heating;96%
...Expand
(S)-alanine ethyl ester hydrochloride
1115-59-9

(S)-alanine ethyl ester hydrochloride

cyclopropanecarboxylic acid chloride
4023-34-1

cyclopropanecarboxylic acid chloride

2-(cyclopropanecarbonyl-amino)-propionic acid ethyl ester
885339-39-9

2-(cyclopropanecarbonyl-amino)-propionic acid ethyl ester

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃;96%
N-Cbz-L-Phe
1161-13-3

N-Cbz-L-Phe

(S)-alanine ethyl ester hydrochloride
1115-59-9

(S)-alanine ethyl ester hydrochloride

Z-Phe-Ala-OEt
60644-13-5

Z-Phe-Ala-OEt

Conditions
ConditionsYield
Stage #1: (S)-alanine ethyl ester hydrochloride With sodium carbonate
Stage #2: N-Cbz-L-Phe With dmap; dicyclohexyl-carbodiimide In dichloromethane at 4 - 20℃; for 1.58333h;		95%
With 2,6-dimethylpyridine; 1-[(1-(cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino)]-uronium hexafluorophosphate In water at 20 - 25℃;85%
(S)-alanine ethyl ester hydrochloride
1115-59-9

(S)-alanine ethyl ester hydrochloride

2-Bromoacetyl bromide
598-21-0

2-Bromoacetyl bromide

A

L-2-(2-bromo-acetylamino)-propionic acid ethyl ester
1127352-23-1

L-2-(2-bromo-acetylamino)-propionic acid ethyl ester

B

(S)-N-(2-chloroethanoyl)ethyl alanate
76385-53-0

(S)-N-(2-chloroethanoyl)ethyl alanate

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃; for 15h; Inert atmosphere; Overall yield = 67 %; Overall yield = 6.38 g;A 95%
B 5%
...Expand
(S)-alanine ethyl ester hydrochloride
1115-59-9

(S)-alanine ethyl ester hydrochloride

2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl isothiocyanate
14152-97-7

2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl isothiocyanate

N-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosylamino)thioxomethyl]alanine ethyl ester
1353744-32-7

N-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosylamino)thioxomethyl]alanine ethyl ester

Conditions
ConditionsYield
With pyridine In benzene at 20℃; for 5h;93.7%
(S)-alanine ethyl ester hydrochloride
1115-59-9

(S)-alanine ethyl ester hydrochloride

2-nitrophenylsulphenyl-L-isoleucine dicyclohexylammonium salt
10382-52-2

2-nitrophenylsulphenyl-L-isoleucine dicyclohexylammonium salt

Nps-Ile-Ala-OEt
97305-67-4

Nps-Ile-Ala-OEt

Conditions
ConditionsYield
With dicyclohexyl-carbodiimide In chloroform 1)-10 deg C, 2 h; 2) 2 h, room temperature;93%
(S)-alanine ethyl ester hydrochloride
1115-59-9

(S)-alanine ethyl ester hydrochloride

4-Carboxybenzaldehyde
619-66-9

4-Carboxybenzaldehyde

C13H15NO4
1349769-94-3

C13H15NO4

Conditions
ConditionsYield
Stage #1: 4-Carboxybenzaldehyde With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dichloromethane
Stage #2: (S)-alanine ethyl ester hydrochloride In dichloromethane at 0 - 20℃; for 16h;		93%
(S)-alanine ethyl ester hydrochloride
1115-59-9

(S)-alanine ethyl ester hydrochloride

benzaldehyde
100-52-7

benzaldehyde

ethyl N-benzylidenealaninate
60855-77-8

ethyl N-benzylidenealaninate

Conditions
ConditionsYield
Stage #1: (S)-alanine ethyl ester hydrochloride With magnesium sulfate; triethylamine In dichloromethane at 20℃; for 1h; Inert atmosphere;
Stage #2: benzaldehyde In dichloromethane at 20℃; Inert atmosphere;		93%
Stage #1: (S)-alanine ethyl ester hydrochloride With triethylamine In dichloromethane at 20℃; Inert atmosphere;
Stage #2: benzaldehyde In dichloromethane at 20℃; Inert atmosphere;
In ethanol at 100℃; for 24h; Inert atmosphere; Schlenk technique; Glovebox;
Stage #1: (S)-alanine ethyl ester hydrochloride With sodium sulfate; triethylamine In dichloromethane at 20℃; for 1h;
Stage #2: benzaldehyde In dichloromethane
(S)-alanine ethyl ester hydrochloride
1115-59-9

(S)-alanine ethyl ester hydrochloride

Fmoc-Ile-OH
71989-23-6

Fmoc-Ile-OH

(3S,6S)-3-methyl-6-((1S)-1-methylpropyl)piperazine-2,5-dione

(3S,6S)-3-methyl-6-((1S)-1-methylpropyl)piperazine-2,5-dione

Conditions
ConditionsYield
With O-(N-succinimidyl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; triethylamine In N,N-dimethyl-formamide at 50℃; for 24h; Inert atmosphere;93%
1,4-difluoro-2-nitrobenzene
364-74-9

1,4-difluoro-2-nitrobenzene

(S)-alanine ethyl ester hydrochloride
1115-59-9

(S)-alanine ethyl ester hydrochloride

ethyl 2-((4-fluoro-2-nitrophenyl)amino)propanoate
311346-76-6

ethyl 2-((4-fluoro-2-nitrophenyl)amino)propanoate

Conditions
ConditionsYield
With pyridine; triethylamine at 80℃; for 17h; Inert atmosphere;92.6%
With pyridine; triethylamine at 80℃; for 17h;74%
N-Cbz-L-Isoleucine
3160-59-6

N-Cbz-L-Isoleucine

(S)-alanine ethyl ester hydrochloride
1115-59-9

(S)-alanine ethyl ester hydrochloride

Cbz-L-Ile-L-Ala-OEt
212070-51-4

Cbz-L-Ile-L-Ala-OEt

Conditions
ConditionsYield
With benzotriazol-1-ol; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In acetonitrile for 21h; Ambient temperature;92%
(S)-alanine ethyl ester hydrochloride
1115-59-9

(S)-alanine ethyl ester hydrochloride

O-phenyl phosphorodichloridate
770-12-7

O-phenyl phosphorodichloridate

(2S)-ethyl 2-(chloro(phenoxy)phosphorylamino)propanoate
245078-14-2

(2S)-ethyl 2-(chloro(phenoxy)phosphorylamino)propanoate

Conditions
ConditionsYield
With triethylamine In dichloromethane92%
With triethylamine In dichloromethane at -78 - 20℃; for 1.5h;84%
With triethylamine In dichloromethane at -78 - 20℃; for 2.5h;75%
(S)-alanine ethyl ester hydrochloride
1115-59-9

(S)-alanine ethyl ester hydrochloride

2,5-hexanedione
110-13-4

2,5-hexanedione

2-(2,5-dimethyl-1H-pyrrol-1-yl)propionic acid ethyl ester
1325726-63-3

2-(2,5-dimethyl-1H-pyrrol-1-yl)propionic acid ethyl ester

Conditions
ConditionsYield
Stage #1: (S)-alanine ethyl ester hydrochloride With triethylamine In tetrahydrofuran at 20℃; for 0.5h; Paal-Knorr pyrrole synthesis;
Stage #2: 2,5-hexanedione With iodine In tetrahydrofuran at 20℃; for 24h; Paal-Knorr pyrrole synthesis; optical yield given as %ee; enantioselective reaction;		92%

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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