Methyl 3-aminopropionate hydrochloride supplier

Name
Methyl 3-aminopropionate hydrochloride
EINECS 2017-001-1
CAS No. 3196-73-4
Article Data46
CAS DataBase
Density 1.013g/cm3
Solubility
Melting Point 103-105 °C
Formula C₄H₉NO₂^.HCl
Boiling Point 151.8 °C at 760 mmHg
Molecular Weight 139.582
Flash Point 26.5 °C
Transport Information
Appearance white to off-white crystalline powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms b-Alanine, methyl ester,hydrochloride (6CI,7CI,8CI,9CI);(3-Methoxy-3-oxopropyl)ammonium chloride;3-Aminopropanoic acid methyl ester hydrochloride;3-Aminopropionic acid methylester hydrochloride;3-Aminopropionic acid methyl ester monohydrochloride;Methyl 3-aminopropanoate hydrochloride;Methyl b-alaninate hydrochloride;b-Alanine methyl estermonohydrochloride;H-β-Ala-OMe·HCl;
PSA 52.32000
LogP 1.01050

Synthetic route

: 67-56-1
methanol

: 107-95-9
3-amino propanoic acid

: 3196-73-4
methyl 3-aminopropanoate hydrochloride

Conditions

Conditions	Yield
Stage #1: methanol With thionyl chloride for 1h; Cooling with ice; Stage #2: 3-amino propanoic acid at 20 - 66℃; for 6.5h;	100%
With thionyl chloride for 3h; Reflux;	100%
With thionyl chloride at 0 - 20℃;	99%

: 75-77-4
chloro-trimethyl-silane

: 107-95-9
3-amino propanoic acid

: 3196-73-4
methyl 3-aminopropanoate hydrochloride

Conditions

Conditions	Yield
In methanol at 20℃; for 24h;	99%

: 105-34-0
methyl 2-cyanoacetate

: 3196-73-4
methyl 3-aminopropanoate hydrochloride

Conditions

Conditions	Yield
With hydrogen; potassium hydroxide In methanol at 30℃; under 15001.5 Torr; for 2h;	98.6%

: 67-56-1
methanol

: 3303-84-2
3-(tert-butyloxycarbonylamino)propionic acid

: 3196-73-4
methyl 3-aminopropanoate hydrochloride

Conditions

Conditions	Yield
With thionyl chloride at -40 - 40℃;	94%

: 107-95-9
3-amino propanoic acid

: 3196-73-4
methyl 3-aminopropanoate hydrochloride

Conditions

Conditions	Yield
With thionyl chloride In methanol

: 67-56-1
methanol

: 3303-84-2
3-(tert-butyloxycarbonylamino)propionic acid

A: 3196-73-4
methyl 3-aminopropanoate hydrochloride

B: 6057-90-5
β-alanine hydrochloride

Conditions

Conditions	Yield
With acetyl chloride In ethyl acetate

...Expand

: 67-56-1
methanol

: 53588-95-7
3-<(tert-butoxycarbonyl)amino>propionitrile

: 3196-73-4
methyl 3-aminopropanoate hydrochloride

Conditions

Conditions	Yield
Stage #1: methanol With acetyl chloride at 0℃; for 0.666667h; Inert atmosphere; Stage #2: 3-<(tert-butoxycarbonyl)amino>propionitrile at 20℃; for 12h; Inert atmosphere;

: 3196-73-4
methyl 3-aminopropanoate hydrochloride

: 1148-11-4
N-Benzyloxycarbonyl-L-proline

: 59543-05-4
N-benzyloxycarbonyl-L-prolyl-β-alanine methyl ester

Conditions

Conditions	Yield
Stage #1: N-Benzyloxycarbonyl-L-proline With 4-methyl-morpholine; isobutyl chloroformate In tetrahydrofuran at -25℃; for 0.166667h; Stage #2: methyl 3-aminopropanoate hydrochloride With 4-methyl-morpholine In tetrahydrofuran at -25℃; for 2h;	100%

: 4-{(4-Cyclohex-1-enylbenzyl)-[3-(3-trifluoromethoxyphenyl)acryloyl]amino}benzoic acid

: 3196-73-4
methyl 3-aminopropanoate hydrochloride

: 3-(4-{(4-cyclohex-1-enylbenzyl)-[3-(3-trifluoromethoxyphenyl)acryloyl]amino}benzoylamino)propionic acid methyl ester

Conditions

Conditions	Yield
Stage #1: 4-{(4-Cyclohex-1-enylbenzyl)-[3-(3-trifluoromethoxyphenyl)acryloyl]amino}benzoic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In DMF (N,N-dimethyl-formamide); dichloromethane; water at 20℃; for 0.5h; Stage #2: methyl 3-aminopropanoate hydrochloride With N-ethyl-N,N-diisopropylamine In DMF (N,N-dimethyl-formamide); dichloromethane; water at 40℃; for 3h;	100%

Yield

Stage #1: 4-{(4-Cyclohex-1-enylbenzyl)-[3-(3-trifluoromethoxyphenyl)acryloyl]amino}benzoic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In DMF (N,N-dimethyl-formamide); dichloromethane; water at 20℃; for 0.5h;
Stage #2: methyl 3-aminopropanoate hydrochloride With N-ethyl-N,N-diisopropylamine In DMF (N,N-dimethyl-formamide); dichloromethane; water at 40℃; for 3h;

100%

: 66493-39-8
4-(N-tert-butoxycarbonyl)aminobenzoic acid

: 3196-73-4
methyl 3-aminopropanoate hydrochloride

: 856251-41-7
3-[4-(tert-butoxycarbonylamino)benzoylamino]propionic acid methyl ester

Conditions

Conditions	Yield
Stage #1: 4-(N-tert-butoxycarbonyl)aminobenzoic acid With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In DMF (N,N-dimethyl-formamide) at 20℃; for 1h; Stage #2: methyl 3-aminopropanoate hydrochloride In DMF (N,N-dimethyl-formamide) at 20℃; for 16h;	100%

: 13139-15-6
N-tert-butoxycarbonyl-L-leucine

: 3196-73-4
methyl 3-aminopropanoate hydrochloride

: 1160927-49-0
3-(2-tert-butoxycarbonylamino-4-methylpentanoylamino)-propionic acid methyl ester

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 5h; Inert atmosphere;	100%

: 3196-73-4
methyl 3-aminopropanoate hydrochloride

: 164149-28-4
4-cyano-2-fluorobenzoic acid

: 1220903-45-6
C12H11FN2O3

Conditions

Conditions	Yield
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dichloromethane for 18h;	100%

: 3196-73-4
methyl 3-aminopropanoate hydrochloride

: 5-[(4-tert-butoxycarbonylamino-1-methyl-1H-imidazole-2-carbonyl)-amino]-benzo[b]thiophene-2-carboxylic acid

: C23H27N5O7S

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride at 25℃; for 20h;	100%

: 10242-12-3
5-nitrobenzofuran-2-carboxylic acid

: 3196-73-4
methyl 3-aminopropanoate hydrochloride

: C13H12N2O6

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 25℃; for 48h; Inert atmosphere;	100%
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 48h;

: 3196-73-4
methyl 3-aminopropanoate hydrochloride

: 5-[(4-tert-butoxycarbonylamino-1-methyl-1H-imidazole-2-carbonyl)-amino]-benzo[b]thiophene-2-carboxylic acid

: C23H27N5O6S

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃; for 20h;	100%

: 871253-42-8
3-fluoro-4-{1-[6-(4-trifluoromethyl-phenyl)-pyridin-3-yl]-heptyloxy}-benzoic acid

: 3196-73-4
methyl 3-aminopropanoate hydrochloride

: 871253-43-9
3-(3-fluoro-4-{1-[6-(4-trifluoromethyl-phenyl)-pyridin-3-yl]-heptyloxy}-benzoylamino)-propionic acid methyl ester

Conditions

Conditions	Yield
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; triethylamine In DMF (N,N-dimethyl-formamide) at 20℃; for 16h;	99%

: 1140948-51-1
3-[(3,5-dimethylphenyl)sulfonyl]-5-nitro-1H-indole-2-carboxylic acid

: 3196-73-4
methyl 3-aminopropanoate hydrochloride

: 1140948-78-2
methyl 3-[3-[(3,5-dimethylphenyl)sulfonyl]-5-nitro-1H-indole-2-carboxamido]propanoate

Conditions

Conditions	Yield
With BOP; triethylamine In N,N-dimethyl-formamide at 20℃;	99%

: 3196-73-4
methyl 3-aminopropanoate hydrochloride

: 77716-16-6
4-tert-butoxycarbonylamino-1-methyl-1H-pyrrole-2-carboxylic acid benzotriazol-1yl ester

: 1528642-37-6
C15H23N3O5

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 16h; Inert atmosphere;	99%

: 13139-16-7
N-(tert-butyloxycarbonyl)-L-isoleucine

: 3196-73-4
methyl 3-aminopropanoate hydrochloride

: methyl 3-((2S,3S)-2-(tert-butoxycarbonylamino)-3-methylpentanamido)propanoate

Conditions

Conditions	Yield
With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; triethylamine In N,N-dimethyl-formamide for 1h;	99%

: 3196-73-4
methyl 3-aminopropanoate hydrochloride

: 112-89-0
1-Bromooctadecane

: 943011-40-3
methyl N,N-dioctadecyl-3-aminopropanoate

Conditions

Conditions	Yield
With potassium carbonate; potassium iodide In acetonitrile at 81℃; for 18h;	99%

: 4702-13-0
N-phthaloylglycine

: 3196-73-4
methyl 3-aminopropanoate hydrochloride

: N-phthaloylglycyl-β-alanine methyl ester

Conditions

Conditions	Yield
Stage #1: N-phthaloylglycine With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0℃; for 0.166667h; Stage #2: methyl 3-aminopropanoate hydrochloride With N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃;	99%

: 1028198-30-2
(13)C6(2)H2C21H22N2O3Cl2

: 3196-73-4
methyl 3-aminopropanoate hydrochloride

: (13)C6(2)H2C25H29N3O4Cl2

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane	98%

: 253605-05-9
2-[2-methyl-3(S)-(4-cyanophenyl)-isoxazolidin-5(R)-yl]acetic acid

: 3196-73-4
methyl 3-aminopropanoate hydrochloride

: 253605-07-1
3-[2-[2-methyl-3(S)-(4-cyanophenyl)-isoxazolidin-5(R)-yl]acetyl]aminopropionic acid methyl ester

Conditions

Conditions	Yield
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; triethylamine In N,N-dimethyl-formamide	98%

: 1220905-11-2
C23H26Cl2N2O5

: 3196-73-4
methyl 3-aminopropanoate hydrochloride

: 1220905-12-3
C27H33Cl2N3O6

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃;	98%

: 939377-07-8
2-(2-chlorophenyl)-5-trifluoromethyloxazole-4-carboxylic acid

: 3196-73-4
methyl 3-aminopropanoate hydrochloride

: 3-{[2-(2-chlorophenyl)-5-trifluoromethyloxazole-4-carbonyl]amino}propionic acid methyl ester

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane for 24h;	98%

: 3196-73-4
methyl 3-aminopropanoate hydrochloride

: 7154-66-7
2-bromobenzoic acid chloride

: methyl 3-(2-bromobenzamido)propanoate

Conditions

Conditions	Yield
With triethylamine In dichloromethane for 0.5h;	98%

: 13734-34-4
N-tert-butoxycarbonyl-L-phenylalanine

: 3196-73-4
methyl 3-aminopropanoate hydrochloride

: 113888-40-7
(S)-methyl 3-(2-(tert-butoxycarbonylamino)-3-phenylpropanamido)propanoate

Conditions

Conditions	Yield
Stage #1: N-tert-butoxycarbonyl-L-phenylalanine With benzotriazol-1-ol; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In dichloromethane for 0.166667h; Stage #2: methyl 3-aminopropanoate hydrochloride In dichloromethane at 20℃; for 24h;	97%
Stage #1: N-tert-butoxycarbonyl-L-phenylalanine With 4-methyl-morpholine; isobutyl chloroformate In tetrahydrofuran at 0℃; for 0.333333h; Stage #2: methyl 3-aminopropanoate hydrochloride With 4-methyl-morpholine In tetrahydrofuran; N,N-dimethyl-formamide at 20℃;	91%
With benzotriazol-1-ol; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; triethylamine In dichloromethane; N,N-dimethyl-formamide	85%
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 0 - 20℃;	75%
Multistep reaction;

: 386703-79-3
[RuCl(C6(CH3)6)(NH2CH2CO2)]

: 3196-73-4
methyl 3-aminopropanoate hydrochloride

: 386703-80-6
ruthenium(η3-N,N',O-(β-Ala-Gly-CO2)(η6-C6(CH3)6))

Conditions

Conditions	Yield
With sodium methylate In methanol byproducts: NaCl; soln. of CH3ONa added dropwise to soln. of RuCl(C6(CH3)6)(NH2CH2CO2) andClH3N(CH2)2CO2CH3, soln. stirred for 2 h at room temp.; solvent removed (vac.), residue dissolved in CH2Cl2 with very small amount of methanol, NaCl centrifuged off, soln. concd., pptd. with diethyl ether, washed (Et2O), dried (vac.); elem. anal.;	97%

: [RuCl2(hexamethylbenzene)]2

: 3196-73-4
methyl 3-aminopropanoate hydrochloride

: 56-40-6
glycine

: 386703-80-6
ruthenium(η3-N,N',O-(β-Ala-Gly-CO2)(η6-C6(CH3)6))

Conditions

Conditions	Yield
With sodium methylate In methanol byproducts: NaCl; soln. of CH3ONa added to soln. of Ru complex, glycine and ClH3N(CH2)2CO2CH3, stirred for 2-6 h; solvent removed (vac.), residue dissolved in CH2Cl2 containing very small amount of methanol, NaCl centrifuged off, soln. concd., pptd. with diethyl ether, washed (Et2O), dried (vac.); elem. anal.;	97%

...Expand

: 4-[2-(4-cyclohexylphenyl)-3-(4-trifluoromethoxybenzoyl)cyclopropyl]benzoic acid

: 3196-73-4
methyl 3-aminopropanoate hydrochloride

: 3-{4-[2-(4-cyclohexylphenyl)-3-(4-trifluoromethoxybenzoyl)cyclopropyl]benzoylamino}propionic acid methyl ester

Conditions

Conditions	Yield
Stage #1: 4-[2-(4-cyclohexylphenyl)-3-(4-trifluoromethoxybenzoyl)cyclopropyl]benzoic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In DMF (N,N-dimethyl-formamide) for 1.5h; Stage #2: methyl 3-aminopropanoate hydrochloride With N-ethyl-N,N-diisopropylamine In DMF (N,N-dimethyl-formamide) at 20℃;	97%

: 3196-73-4
methyl 3-aminopropanoate hydrochloride

: 142253-55-2
1-(t-butyloxycarbonyl)-azetidine-3-carboxylic acid

: 1312705-08-0
3-(2-Methoxycarbonyl-ethylcarbamoyl)-azetidine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In tetrahydrofuran; dichloromethane at 20℃; for 50h;	97%

: 1426998-09-5
3-bromoindeno[1,2-c]isochromene-5,11-dione

: 3196-73-4
methyl 3-aminopropanoate hydrochloride

: 1426998-18-6
C20H14BrNO4

Conditions

Conditions	Yield
In chloroform for 16h; Reflux;	97%

: 2483-46-7
Boc-Lys(Boc)-OH

: 3196-73-4
methyl 3-aminopropanoate hydrochloride

: (S)-methyl 3-(2,6-bis(tert-butoxycarbonylamino)hexanamido)propanoate

Conditions

Conditions	Yield
With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; triethylamine In N,N-dimethyl-formamide	97%

: (2-phenylquinazolin-4-ylsulfanyl)acetic acid

: 3196-73-4
methyl 3-aminopropanoate hydrochloride

: methyl (3-(2-(2-phenylquinazolin-4-yl)sulfanyl)acetyl)aminopropanoate

Conditions

Conditions	Yield
With benzotriazol-1-ol; triethylamine; dicyclohexyl-carbodiimide In acetonitrile at -5 - 20℃; for 10h; chemoselective reaction;	97%

Methyl 3-aminopropionate hydrochloride Chemical Properties

IUPAC Name: Methyl 3-aminopropanoate hydrochloride
Following is the structure of b-Alanine, methyl ester,hydrochloride (1:1) (CAS NO.3196-73-4):

Empirical Formula: C₄H₁₀ClNO₂
Molecular Weight: 139.5807
Flash Point: 26.5 °C
Melting point: 103-105 °C
Storage tempreture: 2-8 °C
Enthalpy of Vaporization: 38.86 kJ/mol
Boiling Point: 151.8 °C at 760 mmHg
Vapour Pressure: 3.6 mmHg at 25 °C
Appearance: white to off-white crystalline powder
Product Categories of b-Alanine, methyl ester,hydrochloride (1:1) (CAS NO.3196-73-4): Amino Acids; β-Alanine [β-Ala]
Canonical SMILES: COC(=O)CCN.Cl
InChI: InChI=1S/C4H9NO2.ClH/c1-7-4(6)2-3-5;/h2-3,5H2,1H3;1H
InChIKey: XPGRZDJXVKFLHQ-UHFFFAOYSA-N

Methyl 3-aminopropionate hydrochloride Toxicity Data With Reference

b-Alanine, methyl ester,hydrochloride (1:1) (CAS NO.3196-73-4) hasn't been listed as a carcinogen by NTP, IARC, ACGIH, or CA Prop 65. And the toxicological properties have not been fully investigated.

Methyl 3-aminopropionate hydrochloride Safety Profile

Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
F: 3-10

Methyl 3-aminopropionate hydrochloride Specification

b-Alanine, methyl ester,hydrochloride (1:1) , its cas register number is 3196-73-4. It also can be called Methyl 3-aminopropionate hydrochloride ; and Methyl 3-aminopropionate hydrochloride .
b-Alanine, methyl ester,hydrochloride (1:1) (CAS NO.3196-73-4) should avoid the condition of incompatible materials, exposure to moist air or water. Its hazardous decomposition products are nitrogen oxides, carbon monoxide, carbon dioxide. However, its hazardous polymerization will not occur.

Product Name

Methyl 3-aminopropionate hydrochloride

Synthetic route

Methyl 3-aminopropionate hydrochloride Chemical Properties

Methyl 3-aminopropionate hydrochloride Toxicity Data With Reference

Methyl 3-aminopropionate hydrochloride Safety Profile

Methyl 3-aminopropionate hydrochloride Specification

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