4-(METHYLAMINO)BUTYRIC ACID HYDROCHLORIDE

Bezeichnung:4-(METHYLAMINO)BUTYRIC ACID HYDROCHLORIDE

CAS-Nr6976-17-6

Englisch Name:4-(METHYLAMINO)BUTYRIC ACID HYDROCHLORIDE

CBNumberCB2471048

SummenformelC5H12ClNO2

Molgewicht153.61

MOL-Datei6976-17-6.mol

4-(METHYLAMINO)BUTYRIC ACID HYDROCHLORIDE physikalisch-chemischer Eigenschaften

Schmelzpunkt	124-126 °C(lit.)
storage temp.	Inert atmosphere,Room Temperature
Löslichkeit	DMSO (Sparingly), Methanol (Slightly)
Aggregatzustand	Solid
Farbe	White to Off-White
Stabilität	Hygroscopic
Major Application	peptide synthesis
InChI	1S/C5H11NO2.ClH/c1-6-4-2-3-5(7)8;/h6H,2-4H2,1H3,(H,7,8);1H
InChIKey	JMLHQRQZCMCQNJ-UHFFFAOYSA-N
SMILES	Cl[H].CNCCCC(O)=O
CAS Datenbank	6976-17-6

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38
S-Sätze:	26-37/39
WGK Germany	3
HS Code	29224985
Speicherklasse	11 - Combustible Solids
Hazard Classifications	Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

Gefahreninformationscode (GHS)

4-(METHYLAMINO)BUTYRIC ACID HYDROCHLORIDE Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
S-Sätze Betriebsanweisung:
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S37/39:Bei der Arbeit geeignete Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
Chemische Eigenschaften
white crystalline powder
Verwenden
4-(Methylamino)butanoic acid Hydrochloride is the salt form of N-Methyl-4-aminobutyric Acid (M285745) which is a GABA derivative and hydrolysis product of the industrial solvent, N-methyl-2-pyrrolidinone. Biologically it is a product of nicotine catabolism in bacteria and inhibits L-Carnitine from undergoing β-oxidation in mammals. It is commonly found in skin products to prevent wrinkles.
reaction suitability
reaction type: solution phase peptide synthesis
Synthese

872-50-4

6976-17-6

The general procedure for the synthesis of hydrogen 4-(methylamino)butyrate from N-methylpyrrolidone is as follows: N-methyl-2-pyrrolidone is added to a reaction vessel with concentrated hydrochloric acid. The mixture was placed in an external oil bath, stirred and refluxed at 165 °C for 9 hours, during which time additional additions of concentrated hydrochloric acid were required. Upon completion of the reaction, the hydrochloric acid was removed by distillation under reduced pressure. The remaining solid was dissolved in cold acetone, stirred and cooled until complete crystallization. The resulting white solid was cryoprecipitated, filtered and washed twice with cold acetone and finally dried. The melting point of the product is 119-120°C. The mother liquor was concentrated to recover part of the product with a total yield of 90%.
Einzelnachweise
[1] Patent: CN108003044, 2018, A. Location in patent: Paragraph 0009; 0010; 0011
[2] Synthesis, 1981, # 6, p. 468 - 469
[3] Bioorganic and Medicinal Chemistry, 2008, vol. 16, # 3, p. 1376 - 1392

4-(METHYLAMINO)BUTYRIC ACID HYDROCHLORIDE Upstream-Materialien And Downstream Produkte

4-(METHYLAMINO)BUTYRIC ACID HYDROCHLORIDE Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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