ChemicalBook > CAS DataBase List > 3-Amino-3-iminopropanoic acid ethyl ester hydrochloride

3-Amino-3-iminopropanoic acid ethyl ester hydrochloride

Product Name
3-Amino-3-iminopropanoic acid ethyl ester hydrochloride
CAS No.
57508-48-2
Chemical Name
3-Amino-3-iminopropanoic acid ethyl ester hydrochloride
Synonyms
ETHYL AMIDINOACETATE HCL;2-Amidinoacetate HydrochL;Ethyl amidinoacetate hydrochloride;carbethoxyacetamidine hydrochloride;Ethyl 2-Amidinoacetate Hydrochloride;ethyl 2-carbaMiMidoylacetate hydrochloride;Ethyl 3-aMino-3-iMinopropanate hydrochloride;Ethyl3-amino-3-iminopropanoate hydrochloride;3-AMINO-3-IMINO-PROPANOIC ACID, ETHYL ESTER HCL;1-amino-3-ethoxy-3-oxopropan-1-iminium chloride
CBNumber
CB3368769
Molecular Formula
C5H11ClN2O2
Formula Weight
166.61
MOL File
57508-48-2.mol
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3-Amino-3-iminopropanoic acid ethyl ester hydrochloride Property

Melting point:
105-108℃
storage temp. 
Inert atmosphere,Room Temperature
form 
Solid
Appearance
White to light yellow Solid
InChI
InChI=1S/C5H10N2O2.ClH/c1-2-9-5(8)3-4(6)7;/h2-3H2,1H3,(H3,6,7);1H
InChIKey
VOHFLYOSVGWQOS-UHFFFAOYSA-N
SMILES
C(C(OCC)=O)C(N)=N.Cl
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P405Store locked up.

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N-Bromosuccinimide Price

TRC
Product number
A609918
Product name
3-Amino-3-imino-propanoicacid,ethylesterhydrochloride
Packaging
100mg
Price
$45
Updated
2021/12/16
TRC
Product number
A609918
Product name
3-Amino-3-imino-propanoicacid,ethylesterhydrochloride
Packaging
250mg
Price
$55
Updated
2021/12/16
TRC
Product number
A609918
Product name
3-Amino-3-imino-propanoicacid,ethylesterhydrochloride
Packaging
500mg
Price
$65
Updated
2021/12/16
Biosynth Carbosynth
Product number
FA53319
Product name
3-Amino-3-imino-propanoic acid ethyl ester HCl
Packaging
1g
Price
$80
Updated
2021/12/16
Matrix Scientific
Product number
020077
Product name
Carbamimidoyl-acetic acid ethyl ester hydrochloride
Packaging
5g
Price
$57
Updated
2021/12/16
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3-Amino-3-iminopropanoic acid ethyl ester hydrochloride Chemical Properties,Usage,Production

Uses

It is used as a pharmaceutical intermediate.

Synthesis

27317-59-5

57508-48-2

The general procedure for the synthesis of ethyl 3-amidinopropionate hydrochloride from ethyl 3-ethoxy-3-iminopropionate was as follows: ethyl 3-amino-3-ethoxyacrylate (760 mg, 4.78 mmol) and ammonium chloride (270 mg, 5.0 mmol) were dissolved in ethanol (4.0 mL) in a glass tube rated for 10 mL pressure. The reaction was carried out using a CEM Discover microwave synthesizer at an initial magnetron power of 200 W for 1 h at 120°C (hold time). Upon completion of the reaction, the reaction mixture was cooled in a stream of compressed air and subsequently filtered. The filtrate was concentrated by vacuum evaporation and the residue was ground with diethyl ether to afford ethyl 3-amidinopropionate hydrochloride (923 mg, 78% yield) as a colorless solid, which was ready for use without further purification. The product characterization data were as follows: νmax (neat)/ cm-1 3300, 3095, 1738, 1687; δH (500 MHz; d6-DMSO)/ ppm 9.16 (2H, broad single peak, NH2), 8.88 (2H, broad single peak, NH2), 4.15 (2H, quartet peak, J = 7.1 Hz, OCH2), 3.63 (2H, single peak, CH2), 1.22 (3H, triple peak, J = 7.1 Hz, CH3); δC (125 MHz, d6-DMSO)/ ppm 166.7 (C=O), 163.6 (C=N), 61.9 (OCH2), 38.2 (CH2), 14.4 (CH3); m/z (EI) 130 (M-+).

References

[1] Synlett, 2016, vol. 27, # 11, p. 1728 - 1732
[2] Chemical and Pharmaceutical Bulletin, 1995, vol. 43, # 5, p. 788 - 796
[3] Patent: WO2008/33745, 2008, A2. Location in patent: Page/Page column 70
[4] Patent: WO2008/33747, 2008, A2. Location in patent: Page/Page column 254-255
[5] European Journal of Medicinal Chemistry, 2011, vol. 46, # 12, p. 6002 - 6014

3-Amino-3-iminopropanoic acid ethyl ester hydrochloride Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 3-Amino-3-iminopropanoic acid ethyl ester hydrochloride manufacturers

Shaanxi Dideu New Materials Co. Ltd
Product
3-Amino-3-iminopropanoic acid ethyl ester hydrochloride 57508-48-2
Price
US $0.00/kg
Min. Order
1kg
Purity
98%
Supply Ability
1000kg
Release date
2025-07-10
Career Henan Chemical Co
Product
3-Amino-3-iminopropanoic acid ethyl ester hydrochloride 57508-48-2
Price
US $1.00/ASSAYS
Min. Order
1ASSAYS
Purity
85.0-99.8%
Supply Ability
20tons
Release date
2020-01-08

57508-48-2, 3-Amino-3-iminopropanoic acid ethyl ester hydrochlorideRelated Search:

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  • 57508-48-2
  • C5H10N2O2ClH
  • C5H11ClN2O2
  • Acids and Derivatives
  • Boron, Nitrile, Thio,& TM-Cpds
  • pharmacetical