Product Name

  • Name

    Ethyl 3-aminopropanoate hydrochloride

  • EINECS 224-203-0
  • CAS No. 4244-84-2
  • Article Data14
  • CAS DataBase
  • Density
  • Solubility almost transparency
  • Melting Point 67-70 °C(lit.)
  • Formula C5H11NO2.HCl
  • Boiling Point 167.8 °C at 760 mmHg
  • Molecular Weight 153.609
  • Flash Point 41.4 °C
  • Transport Information
  • Appearance White to off-white crystalline powder
  • Safety 36/37/39-26-22-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 4244-84-2 (Ethyl 3-aminopropanoate hydrochloride)
  • Hazard Symbols IrritantXi
  • Synonyms 3-Aminopropionic acid ethyl ester hydrochloride;CarnoSyn;Ethyl 3-aminopropionate hydrochloride;Ethyl b-alaninate hydrochloride;H-b-Ala-OEt·HCl;H-β-Ala-OEt·HCl;b-Alanine, ethyl ester,hydrochloride (6CI,7CI,8CI,9CI);3-Aminopropanoic acid ethyl esterhydrochloride;Ethyl 3-aminopropanoate hydrochloride;
  • PSA 52.32000
  • LogP 1.40060

Synthetic route

ethanol
64-17-5

ethanol

β-alanine hydrochloride
6057-90-5

β-alanine hydrochloride

ethyl β-alaninate hydrochloride
4244-84-2

ethyl β-alaninate hydrochloride

Conditions
ConditionsYield
Stage #1: ethanol With thionyl chloride at -10℃; for 0.5h;
Stage #2: β-alanine hydrochloride In ethanol at -10 - 40℃;		99%
ethyl 2-cyanoacetate
105-56-6

ethyl 2-cyanoacetate

ethyl β-alaninate hydrochloride
4244-84-2

ethyl β-alaninate hydrochloride

Conditions
ConditionsYield
With hydrogenchloride; hydrogen In 1,4-dioxane; ethanol at 60 - 70℃; under 375.038 Torr; for 18h; Flow reactor;97%
3-azidopropionic acid ethyl ester
40139-55-7

3-azidopropionic acid ethyl ester

ethyl β-alaninate hydrochloride
4244-84-2

ethyl β-alaninate hydrochloride

Conditions
ConditionsYield
With triphenylphosphine In tetrahydrofuran; water for 12h; Ambient temperature;90%
ethanol
64-17-5

ethanol

3-amino propanoic acid
107-95-9

3-amino propanoic acid

ethyl β-alaninate hydrochloride
4244-84-2

ethyl β-alaninate hydrochloride

Conditions
ConditionsYield
With thionyl chloride at -10℃; for 2h; Reflux;87%
With hydrogenchloride at 0℃; for 0.5h;
With thionyl chloride at -5 - 78℃; for 1.5h; Reflux;
ethyl 4-amino-4- oxobutanoate
53171-35-0

ethyl 4-amino-4- oxobutanoate

ethyl β-alaninate hydrochloride
4244-84-2

ethyl β-alaninate hydrochloride

Conditions
ConditionsYield
With hydrogenchloride; bis-[(trifluoroacetoxy)iodo]benzene 1) acetonitrile, water, 60-62 deg C, 2) water; Yield given. Multistep reaction;
Ethyl 3-bromopropionate
539-74-2

Ethyl 3-bromopropionate

ethyl β-alaninate hydrochloride
4244-84-2

ethyl β-alaninate hydrochloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 84 percent / NaN3 / dimethylsulfoxide / Ambient temperature
2: 90 percent / triphenylphosphine / tetrahydrofuran; H2O / 12 h / Ambient temperature
View Scheme
3-(tert-butyloxycarbonylamino)propionic acid
3303-84-2

3-(tert-butyloxycarbonylamino)propionic acid

ethyl acetate
141-78-6

ethyl acetate

A

ethyl β-alaninate hydrochloride
4244-84-2

ethyl β-alaninate hydrochloride

B

β-alanine hydrochloride
6057-90-5

β-alanine hydrochloride

Conditions
ConditionsYield
With hydrogenchloride
...Expand
(3R)-1-{3-[1-(tert-butoxycarbonyl)-4-piperidinyl]propanoyl}-3-piperidinecarboxylic acid
169498-28-6

(3R)-1-{3-[1-(tert-butoxycarbonyl)-4-piperidinyl]propanoyl}-3-piperidinecarboxylic acid

ethyl β-alaninate hydrochloride
4244-84-2

ethyl β-alaninate hydrochloride

N-[(R)-1-{3-(1-tert-butoxycarbonyl-4-piperidyl)-propionyl}-3-piperidylcarbonyl]-β-alanine ethyl ester
169495-73-2

N-[(R)-1-{3-(1-tert-butoxycarbonyl-4-piperidyl)-propionyl}-3-piperidylcarbonyl]-β-alanine ethyl ester

Conditions
ConditionsYield
With benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide In N,N-dimethyl-formamide at 20℃;100%
ethyl β-alaninate hydrochloride
4244-84-2

ethyl β-alaninate hydrochloride

benzyl chloroformate
501-53-1

benzyl chloroformate

3-Benzyloxycarbonylamino-propionic acid ethyl ester
161617-96-5

3-Benzyloxycarbonylamino-propionic acid ethyl ester

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0 - 20℃; for 15h;100%
With sodium hydroxide In tetrahydrofuran; water at 0 - 5℃;
ethyl β-alaninate hydrochloride
4244-84-2

ethyl β-alaninate hydrochloride

1-chloro-2,6-dinitrobenzene
606-21-3

1-chloro-2,6-dinitrobenzene

ethyl N-(2,6-dinitrophenyl)-β-alaninate
1173982-96-1

ethyl N-(2,6-dinitrophenyl)-β-alaninate

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 20℃; for 2h;100%
With triethylamine In tetrahydrofuran at 20℃; for 2h;
2-(4'-(6-Carbamoyl-3,5-dimethylpyrazin-2-yl)-2-chlorobiphenyl-4-yl)-acetic acid
1259022-06-4

2-(4'-(6-Carbamoyl-3,5-dimethylpyrazin-2-yl)-2-chlorobiphenyl-4-yl)-acetic acid

ethyl β-alaninate hydrochloride
4244-84-2

ethyl β-alaninate hydrochloride

ethyl 3-(2-(4'-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)-2-chlorobiphenyl-4-yl)acetamido)propanoate
1259023-07-8

ethyl 3-(2-(4'-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)-2-chlorobiphenyl-4-yl)acetamido)propanoate

Conditions
ConditionsYield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 20h;100%
2,6-dicholoro-3-nitropyridine
16013-85-7

2,6-dicholoro-3-nitropyridine

ethyl β-alaninate hydrochloride
4244-84-2

ethyl β-alaninate hydrochloride

ethyl 3-((6-chloro-3-nitropyridin-2-yl)amino)propanoate
433226-12-1

ethyl 3-((6-chloro-3-nitropyridin-2-yl)amino)propanoate

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃;100%
tert-butyl (1-(4-(6-chloro-5-nitro-3-phenylpyridin-2-yl)phenyl)cyclobutyl)carbamate
1313440-75-3

tert-butyl (1-(4-(6-chloro-5-nitro-3-phenylpyridin-2-yl)phenyl)cyclobutyl)carbamate

ethyl β-alaninate hydrochloride
4244-84-2

ethyl β-alaninate hydrochloride

ethyl 3-((6-(4-(1-((tert-butoxycarbonyl)amino)cyclobutyl)phenyl)-3-nitro-5-phenylpyridin-2-yl)amino)propanoate
1313441-20-1

ethyl 3-((6-(4-(1-((tert-butoxycarbonyl)amino)cyclobutyl)phenyl)-3-nitro-5-phenylpyridin-2-yl)amino)propanoate

Conditions
ConditionsYield
With triethylamine In ethanol at 80℃; for 1.5h; Microwave irradiation; Inert atmosphere;100%
ethyl β-alaninate hydrochloride
4244-84-2

ethyl β-alaninate hydrochloride

succinimide 4-azidosalicylate
96602-46-9

succinimide 4-azidosalicylate

N-(4-azido salicyloyl)-β-alanine ethyl ester

N-(4-azido salicyloyl)-β-alanine ethyl ester

Conditions
ConditionsYield
With triethylamine In 1,4-dioxane for 1h;99%
ethyl β-alaninate hydrochloride
4244-84-2

ethyl β-alaninate hydrochloride

2-[2-(2-methoxyethoxy)ethoxy]ethyl chloroformate
105292-71-5

2-[2-(2-methoxyethoxy)ethoxy]ethyl chloroformate

3-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxycarbonylamino}-propionic acid ethyl ester
469887-98-7

3-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxycarbonylamino}-propionic acid ethyl ester

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃; for 18h;99%
di-tert-butyl dicarbonate
24424-99-5

di-tert-butyl dicarbonate

ethyl β-alaninate hydrochloride
4244-84-2

ethyl β-alaninate hydrochloride

3-tert-butoxycarbonylamino-propionic acid ethyl ester
88574-53-2

3-tert-butoxycarbonylamino-propionic acid ethyl ester

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 0 - 60℃; for 6h;99%
With triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere;94%
Stage #1: ethyl β-alaninate hydrochloride With triethylamine In dichloromethane at 0℃; for 0.5h;
Stage #2: di-tert-butyl dicarbonate In dichloromethane at 0 - 20℃; for 16h;		92%
4-chloro-2-(2'-ethoxybiphenyl-4-yl)-6-fluoroquinoline-3-carbonitrile
881312-98-7

4-chloro-2-(2'-ethoxybiphenyl-4-yl)-6-fluoroquinoline-3-carbonitrile

ethyl β-alaninate hydrochloride
4244-84-2

ethyl β-alaninate hydrochloride

ethyl N-[3-cyano-2-(2'-ethoxybiphenyl-4-yl)-6-fluoroquinolin-4-yl]-beta-alaninate

ethyl N-[3-cyano-2-(2'-ethoxybiphenyl-4-yl)-6-fluoroquinolin-4-yl]-beta-alaninate

Conditions
ConditionsYield
With triethylamine In N,N-dimethyl-formamide at 20℃; for 0.5h;99%
ethyl β-alaninate hydrochloride
4244-84-2

ethyl β-alaninate hydrochloride

chloroacetyl chloride
79-04-9

chloroacetyl chloride

ethyl 3-(N-chloroacetylamino)propionate
66368-59-0

ethyl 3-(N-chloroacetylamino)propionate

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0 - 20℃; for 5h;99%
2-amino-4-chloro-6-(piperidin-1-yl)pyrimidine-5-carbaldehyde
865660-47-5

2-amino-4-chloro-6-(piperidin-1-yl)pyrimidine-5-carbaldehyde

ethyl β-alaninate hydrochloride
4244-84-2

ethyl β-alaninate hydrochloride

C15H23N5O3
1431987-97-1

C15H23N5O3

Conditions
ConditionsYield
With potassium carbonate for 21h;99%
di-tert-butyl dicarbonate
24424-99-5

di-tert-butyl dicarbonate

ethyl β-alaninate hydrochloride
4244-84-2

ethyl β-alaninate hydrochloride

acrylonitrile
107-13-1

acrylonitrile

ethyl 3-((tert-butoxycarbonyl)(2-cyanoethyl)amino)propanoate
266353-22-4

ethyl 3-((tert-butoxycarbonyl)(2-cyanoethyl)amino)propanoate

Conditions
ConditionsYield
Stage #1: ethyl β-alaninate hydrochloride; acrylonitrile With sodium hydroxide In methanol at 70℃; for 6h;
Stage #2: di-tert-butyl dicarbonate In methanol at 0 - 20℃; for 6h;		99%
Stage #1: ethyl β-alaninate hydrochloride; acrylonitrile With sodium hydroxide In methanol at 70℃; for 6h;
Stage #2: di-tert-butyl dicarbonate In methanol at 0 - 20℃; for 6h;		638 g
Stage #1: ethyl β-alaninate hydrochloride; acrylonitrile With sodium hydroxide In methanol at 70℃; for 6h;
Stage #2: di-tert-butyl dicarbonate In methanol at 0 - 20℃; for 6h;		638 g
...Expand
(R)-3-((4-(3-(2-((tert-butoxycarbonyl)amino)-2-phenylethyl)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)piperazin-1-yl)methyl)benzoic acid
1308380-51-9

(R)-3-((4-(3-(2-((tert-butoxycarbonyl)amino)-2-phenylethyl)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)piperazin-1-yl)methyl)benzoic acid

ethyl β-alaninate hydrochloride
4244-84-2

ethyl β-alaninate hydrochloride

(R)-ethyl 3-(3-((4-(3-(2-((tert-butoxycarbonyl)amino)-2-phenylethyl)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)piperazin-1-yl)methyl)benzamido)propanoate

(R)-ethyl 3-(3-((4-(3-(2-((tert-butoxycarbonyl)amino)-2-phenylethyl)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)piperazin-1-yl)methyl)benzamido)propanoate

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 6h;99%
Indole-2-carboxylic acid
1477-50-5

Indole-2-carboxylic acid

ethyl β-alaninate hydrochloride
4244-84-2

ethyl β-alaninate hydrochloride

3-[(1H-indole-2-carbonyl)amino]propionic acid ethyl ester
68724-78-7

3-[(1H-indole-2-carbonyl)amino]propionic acid ethyl ester

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; for 24h;98%
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; for 24h; Condensation;95%
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 0 - 20℃; for 24h; Inert atmosphere;90%
6,8-nonadecadiynoic acid
26192-19-8

6,8-nonadecadiynoic acid

ethyl β-alaninate hydrochloride
4244-84-2

ethyl β-alaninate hydrochloride

ethyl 3-nonadeca-6,8-diynamidopropanoate

ethyl 3-nonadeca-6,8-diynamidopropanoate

Conditions
ConditionsYield
Stage #1: 6,8-octadecadiynoic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane for 1h;
Stage #2: ethyl β-alaninate hydrochloride With triethylamine In dichloromethane at 0 - 20℃; for 3h;		98%
ethyl β-alaninate hydrochloride
4244-84-2

ethyl β-alaninate hydrochloride

(Z)-2-{4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzyloxyimino}-2-phenylacetic acid
250600-98-7

(Z)-2-{4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzyloxyimino}-2-phenylacetic acid

ethyl (Z)-3-(2-{4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzyloxyimino}-2-phenylacetoamido)propionate

ethyl (Z)-3-(2-{4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzyloxyimino}-2-phenylacetoamido)propionate

Conditions
ConditionsYield
With benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine In N,N-dimethyl-formamide at 20℃; for 18h;97%
pyrrol-2-yl trichloromethyl ketone
35302-72-8

pyrrol-2-yl trichloromethyl ketone

ethyl β-alaninate hydrochloride
4244-84-2

ethyl β-alaninate hydrochloride

3-[(1H-pyrrole-2-carbonyl)-amino]-propionic acid ethyl ester
129053-83-4

3-[(1H-pyrrole-2-carbonyl)-amino]-propionic acid ethyl ester

Conditions
ConditionsYield
With triethylamine In acetonitrile at 20℃; for 48h;97%
With diisopropylamine In tetrahydrofuran at 20℃; for 7h; Inert atmosphere; Reflux;63%
With triethylamine In acetonitrile at 20℃;
With triethylamine In acetonitrile at 20℃;
With triethylamine
3-nitro-benzoyl glycine
617-10-7

3-nitro-benzoyl glycine

di(succinimido) carbonate
74124-79-1

di(succinimido) carbonate

ethyl β-alaninate hydrochloride
4244-84-2

ethyl β-alaninate hydrochloride

N-[2-[[(3-nitrophenyl)carbonyl]amino]-1-oxoethyl]-β-alanine

N-[2-[[(3-nitrophenyl)carbonyl]amino]-1-oxoethyl]-β-alanine

Conditions
ConditionsYield
With N,N-dimethylamino-pyridine In N-methyl-acetamide; aqueous potassium carbonate97%
...Expand
ethyl β-alaninate hydrochloride
4244-84-2

ethyl β-alaninate hydrochloride

benzyl bromide
100-39-0

benzyl bromide

ethyl 3-(dibenzylamino)propanoate
108898-31-3

ethyl 3-(dibenzylamino)propanoate

Conditions
ConditionsYield
With potassium carbonate In acetonitrile at 40℃;97%
With potassium carbonate In acetonitrile at 40℃;97%
1-(1-(2',4',6'-trimethyl-[1,1'-biphenyl]-4-yl)butyl)-1H-indazole-5-carboxylic acid

1-(1-(2',4',6'-trimethyl-[1,1'-biphenyl]-4-yl)butyl)-1H-indazole-5-carboxylic acid

ethyl β-alaninate hydrochloride
4244-84-2

ethyl β-alaninate hydrochloride

ethyl 3-(1-(1-(2',4',6'-trimethyl-[1,1'-biphenyl]-4-yl)butyl)-1H-indazole-5-carboxamido)propionic acid

ethyl 3-(1-(1-(2',4',6'-trimethyl-[1,1'-biphenyl]-4-yl)butyl)-1H-indazole-5-carboxamido)propionic acid

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 3h;96.7%
ethyl β-alaninate hydrochloride
4244-84-2

ethyl β-alaninate hydrochloride

4-amino salicylic acid N-hydroxysuccinimide ester

4-amino salicylic acid N-hydroxysuccinimide ester

N-(4-amino salicyloyl)-β-alanine ethyl ester

N-(4-amino salicyloyl)-β-alanine ethyl ester

Conditions
ConditionsYield
With triethylamine In 1,4-dioxane for 2h;96%
N-Fmoc-β-alanine
35737-10-1

N-Fmoc-β-alanine

ethyl β-alaninate hydrochloride
4244-84-2

ethyl β-alaninate hydrochloride

N-(9-fluorenylmethoxycarbonyl)-β-alanine-β-alanine ethyl ester
877066-64-3

N-(9-fluorenylmethoxycarbonyl)-β-alanine-β-alanine ethyl ester

Conditions
ConditionsYield
Stage #1: N-Fmoc-β-alanine With benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide In dichloromethane at 4℃; for 0.5h;
Stage #2: ethyl β-alaninate hydrochloride With N-ethyl-N,N-diisopropylamine In dichloromethane at 22℃; for 16h;		96%
ethyl β-alaninate hydrochloride
4244-84-2

ethyl β-alaninate hydrochloride

N-(9-fluorenylmethoxycarbonyl)-β-alanine-β-alanine ethyl ester
877066-64-3

N-(9-fluorenylmethoxycarbonyl)-β-alanine-β-alanine ethyl ester

Conditions
ConditionsYield
Stage #1: N-Fmoc-β-alanine With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0℃; for 0.5h;
Stage #2: ethyl β-alaninate hydrochloride With N-ethyl-N,N-diisopropylamine In dichloromethane at 23℃; for 16h;		96%
5-[(2,5-difluorophenyl)[(4-fluorophenyl)sulfonyl]methyl]-4-methylpyridine-2-carboxylic acid
913090-51-4

5-[(2,5-difluorophenyl)[(4-fluorophenyl)sulfonyl]methyl]-4-methylpyridine-2-carboxylic acid

ethyl β-alaninate hydrochloride
4244-84-2

ethyl β-alaninate hydrochloride

N-[[5-[(2,5-difluorophenyl)[(4-fluorophenyl)sulfonyl]methyl]-4-methylpyridin-2-yl]carbonyl]-β-alanineethyl ester

N-[[5-[(2,5-difluorophenyl)[(4-fluorophenyl)sulfonyl]methyl]-4-methylpyridin-2-yl]carbonyl]-β-alanineethyl ester

Conditions
ConditionsYield
With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 15h;96%
3-fluoro-4-nitrobenzonitrile
218632-01-0

3-fluoro-4-nitrobenzonitrile

ethyl β-alaninate hydrochloride
4244-84-2

ethyl β-alaninate hydrochloride

3-(5-cyano-2-nitro-phenylamino)-propionic acid ethyl ester
1090902-55-8

3-(5-cyano-2-nitro-phenylamino)-propionic acid ethyl ester

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl acetamide at 20℃; for 16h;96%
5,6-dimethoxyindole-2-carboxylic acid
88210-96-2

5,6-dimethoxyindole-2-carboxylic acid

ethyl β-alaninate hydrochloride
4244-84-2

ethyl β-alaninate hydrochloride

3-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]propionic acid ethyl ester
1092796-32-1

3-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]propionic acid ethyl ester

Conditions
ConditionsYield
Stage #1: 5,6-dimethoxyindole-2-carboxylic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In tetrahydrofuran at 20℃; for 8h;
Stage #2: ethyl β-alaninate hydrochloride With triethylamine In tetrahydrofuran at 20℃;		96%
ethyl β-alaninate hydrochloride
4244-84-2

ethyl β-alaninate hydrochloride

1-phenyl-1,6-dioxo-hepta-2,4-(E,E)-diene
160196-16-7

1-phenyl-1,6-dioxo-hepta-2,4-(E,E)-diene

ethyl 2-(2-oxophenylethyl)-5-methyl(pyrrol-1-yl)propionate
477335-96-9

ethyl 2-(2-oxophenylethyl)-5-methyl(pyrrol-1-yl)propionate

Conditions
ConditionsYield
With sodium carbonate In ethanol at 20℃; for 6h;95%

Ethyl 3-aminopropanoate hydrochloride Specification

1. Introduction of Ethyl 3-aminopropanoate hydrochloride

Ethyl 3-aminopropanoate hydrochloride (4244-84-2), with the chemical name of b-Alanine, ethyl ester,hydrochloride (1:1), is one kind of white to off-white crystalline powder. The product's categories are Amino Acids Derivatives; Aliphatics; Esters; β-Alanine [β-Ala]; Amino hydrochloride. It is hygroscopic and stable under normal temperatures and pressures. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

2. Properties of Ethyl 3-aminopropanoate hydrochloride

The other characteristics of Ethyl 3-aminopropanoate hydrochloride can be summarized as: (1)ACD/LogP: 0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.75; (4)ACD/LogD (pH 7.4): -1.27; (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): 1.11; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.54 Å2; (13)Flash Point: 41.4 °C; (14)Enthalpy of Vaporization: 40.43 kJ/mol; (15)Vapour Pressure: 1.67 mmHg at 25°C; (16)Rotatable Bond Count: 4; (17)Exact Mass: 153.055656; (18)MonoIsotopic Mass: 153.055656; (19)Topological Polar Surface Area: 52.3; (20)Heavy Atom Count: 9; (21)Complexity: 72.8.

3. Structure Descriptors of Ethyl 3-aminopropanoate hydrochloride

You could convert the following datas into the molecular structure:
1. SMILES:Cl.O=C(OCC)CCN
2. InChI:InChI=1/C5H11NO2.ClH/c1-2-8-5(7)3-4-6;/h2-4,6H2,1H3;1H 
3. InChIKey:RJCGNNHKSNIUAT-UHFFFAOYAA

4. Preparation of Ethyl 3-aminopropanoate hydrochloride

Ethyl 3-aminopropanoate hydrochloride can be obtained by 3-azido-propionic acid ethyl ester. This reaction needs reagent triphenylphosphine and solvent tetrahydrofuran and H2O at ambient temperature. The reaction time is 12 hours. The yield is 90%.

5. Uses of Ethyl 3-aminopropanoate hydrochloride

Ethyl 3-aminopropanoate hydrochloride is used as pharmaceutical intermediate. And it can react with furfural to get 3-[(furan-2-ylmethylene)-amino]-propionic acid ethyl ester. This reaction needs reagent triethylamine and solvent H2O at ambient temperature. The reaction time is 20 min. The yield is 68 %.

 

6. Safety information of Ethyl 3-aminopropanoate hydrochloride

Hazard Codes: Xi
Risk Statements: 36/37/38
Safety Statements: 36/37/39-26-22-36
WGK Germany: 3
HazardClass: HYGROSCOPIC
HS Code: 29224995

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin, so people should not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

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