3196-73-4

  • Product Namebeta-Alanine methyl ester hydrochloride
  • Molecular FormulaC4H9NO2.HCl
  • Molecular Weight139.582
  • Purity99%
  • Appearancewhite to off-white crystalline powder
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Product Details

Quick Details

  • CasNo: 3196-73-4
  • Molecular Formula: C4H9NO2.HCl
  • Appearance: white to off-white crystalline powder
  • Purity: 99%

High Purity beta-Alanine methyl ester hydrochloride 3196-73-4 Crystalline Powder

  • Molecular Formula:C4H9NO2.HCl
  • Molecular Weight:139.582
  • Appearance/Colour:white to off-white crystalline powder 
  • Vapor Pressure:3.6mmHg at 25°C 
  • Melting Point:103-105 °C 
  • Boiling Point:151.8 °C at 760 mmHg 
  • Flash Point:26.5 °C 
  • PSA:52.32000 
  • Density:1.013g/cm3 
  • LogP:1.01050 

Methyl 3-aminopropionate hydrochloride(Cas 3196-73-4) Usage

Chemical Properties

white to off-white crystalline powder

Uses

β-Alanine Methyl Ester is an intermediate in the synthesis of Trichostatin A (T774710) and Trapoxin B as histone deacetylase inhibitors. b-Alanine methyl ester hydrochloride is a fatty acid that is found in animal and plant tissues.

Isomeric SMILES: COC(=O)CCN.Cl  
InChIKey: XPGRZDJXVKFLHQ-UHFFFAOYSA-N  
InChI: InChI=1S/C4H9NO2.ClH/c1-7-4(6)2-3-5;/h2-3,5H2,1H3;1H  

3196-73-4 Relevant articles

Metabolism of 5-fluorouracil to an N-cholyl-2-fluoro-beta-alanine conjugate: previously unrecognized role for bile acids in drug conjugation.

D J Sweeny, S Barnes, G D Heggie, and R B Diasio

, August 1, 1987 84 (15) 5439-5443

Briefly, a suspension of 2-fluoro-,B-alanine methyl ester hydrochloride (0.5 mmol) in 7 ml of ethyl acetate containing 0.1 ml oftriethylamine was stirred at 25Cfor 30 min, after which cholic …

Synthesis of an unsaturated β-alanine derivative

G. N. Khimich, M. Yu. Slabospitskaya, V. A. Korzhikov & T. B. Tennikova

, Russian Journal of Applied Chemistry volume 78, pages1000–1002 (2005)

… protected by conversion into methyl ester II. The reaction was performed in methanol in the presence of thionyl chloride [6]. The amino group of b-alanine methyl ester hydrochloride was …

Three-residue turn in β-peptides nucleated by a 12/10 helix

Sharma, Gangavaram V. M.,Yadav, Thota Anupama,Marumudi, Kanakaraju,Thodupunuri, Prashanth,Reddy, Pothula Purushotham,Kunwar, Ajit C.

, p. 3153 - 3162 (2014)

A new three-residue turn in β peptides n...

3196-73-4 Process route

methanol
67-56-1

methanol

3-amino propanoic acid
107-95-9

3-amino propanoic acid

methyl 3-aminopropanoate hydrochloride
3196-73-4

methyl 3-aminopropanoate hydrochloride

Conditions
Conditions Yield
methanol; With thionyl chloride; for 1h; Cooling with ice;
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%
With thionyl chloride; at 0 - 20 ℃; for 2h; Cooling with ice;
98%
With chloro-trimethyl-silane; for 6h; Ambient temperature;
96%
With thionyl chloride; Heating;
96%
With chloro-trimethyl-silane; at 20 ℃; for 12h;
96%
With thionyl chloride; at 0 ℃; for 1h;
91%
With acetyl chloride; at 0 ℃; for 3h; Reflux;
91%
With chloro-trimethyl-silane; at 0 - 20 ℃;
90%
With thionyl chloride; at 20 ℃; for 18h;
89%
With thionyl chloride; for 2.5h;
88%
With thionyl chloride; at 0 ℃;
85%
With thionyl chloride; at 0 - 20 ℃;
78%
With thionyl chloride; at 20 ℃; for 16h;
77%
methanol; With thionyl chloride; at 0 ℃; for 0.333333h;
3-amino propanoic acid; at 20 ℃; for 14h;
62%
With hydrogenchloride;
 
With hydrogenchloride; for 17h; Heating;
 
With hydrogenchloride; at 60 ℃; for 1.5h;
 
With thionyl chloride; for 12h; Heating;
 
With thionyl chloride;
 
With hydrogenchloride;
 
With thionyl chloride; at 60 - 70 ℃;
 
With thionyl chloride; at 5 ℃; Inert atmosphere; Reflux;
 
With thionyl chloride; at 78 ℃;
 
With hydrogenchloride; at 20 ℃;
 
With thionyl chloride; Inert atmosphere; Reflux;
 
methanol; With thionyl chloride; at 0 ℃; for 1h;
3-amino propanoic acid; at 90 ℃; for 15h;
 
With hydrogenchloride; at 20 ℃;
 
With thionyl chloride; at 0 - 20 ℃; for 16h; Inert atmosphere;
 
With thionyl chloride; at 70 ℃; for 16h;
 
With thionyl chloride; at 60 ℃; Cooling with ice;
 
With thionyl chloride;
 
With thionyl chloride; at 40 ℃; for 12h;
 
With thionyl chloride;
 
With thionyl chloride; for 12h; Reflux;
 
With thionyl chloride; for 5h; Inert atmosphere; Reflux;
 
methyl 2-cyanoacetate
105-34-0

methyl 2-cyanoacetate

methyl 3-aminopropanoate hydrochloride
3196-73-4

methyl 3-aminopropanoate hydrochloride

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

3196-73-4 Upstream products

  • 67-56-1
    67-56-1

    methanol

  • 107-95-9
    107-95-9

    3-amino propanoic acid

  • 3303-84-2
    3303-84-2

    3-(tert-butyloxycarbonylamino)propionic acid

  • 53588-95-7
    53588-95-7

    3-<(tert-butoxycarbonyl)amino>propionitrile

3196-73-4 Downstream products

  • 107-95-9
    107-95-9

    3-amino propanoic acid

  • 50835-77-3
    50835-77-3

    2-methoxycarbonylethyl isocyanate

  • 67726-29-8
    67726-29-8

    N-{4-[(2-oxo-benzooxazol-3-ylmethyl)-amino]-benzoyl}-β-alanine methyl ester

  • 67726-35-6
    67726-35-6

    N-{4-[(2-thioxo-benzothiazol-3-ylmethyl)-amino]-benzoyl}-β-alanine methyl ester

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