Methyl 3-methylthiophene-2-carboxylate

Bezeichnung:Methyl 3-methylthiophene-2-carboxylate

CAS-Nr81452-54-2

Englisch Name:Methyl 3-methylthiophene-2-carboxylate

CBNumberCB2390952

SummenformelC7H8O2S

Molgewicht156.2

MOL-Datei81452-54-2.mol

Methyl 3-methylthiophene-2-carboxylate physikalisch-chemischer Eigenschaften

Siedepunkt	216-217°C
Dichte	1.173±0.06 g/cm3(Predicted)
Brechungsindex	1.5168
Flammpunkt	216-217°C
storage temp.	Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand	clear liquid
Farbe	Colorless to Light yellow
BRN	116836
InChI	InChI=1S/C7H8O2S/c1-5-3-4-10-6(5)7(8)9-2/h3-4H,1-2H3
InChIKey	BRWROFVPMUPMJQ-UHFFFAOYSA-N
SMILES	C1(C(OC)=O)SC=CC=1C

Sicherheit

S-Sätze:	23-24/25
HS Code	29151300

Gefahreninformationscode (GHS)

Methyl 3-methylthiophene-2-carboxylate Chemische Eigenschaften,Einsatz,Produktion Methoden

S-Sätze Betriebsanweisung:
S23:Gas/Rauch/Dampf/Aerosol nicht einatmen(geeignete Bezeichnung(en) vom Hersteller anzugeben).
S24/25:Berührung mit den Augen und der Haut vermeiden.
Chemische Eigenschaften
Colorless liquid
Synthese

67-56-1

23806-24-8

81452-54-2

Step 1: Synthesis of methyl 3-methylthiophene-2-carboxylate: 3-methylthiophene-2-carboxylic acid (15 g, 105 mmol, 1.0 eq.) was dissolved in methanol (150 mL) and concentrated sulfuric acid (7.5 mL) was added slowly and dropwise. The reaction mixture was heated to reflux for 12 hours. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure. The residue was dissolved in ethyl acetate (200 mL) and washed sequentially with water (2 x 50 mL), saturated aqueous sodium bicarbonate solution (2 x 50 mL) and brine (50 mL). The organic phase was dried with anhydrous sodium sulfate, filtered, and the filtrate was concentrated under reduced pressure to afford 20 g (97% yield) of methyl 3-methylthiophene-2-carboxylate as an oil. The product was confirmed by 1H NMR (400 MHz, CDCl3): δ 7.38 (d, J=5.0 Hz, 1H), 6.91 (d, J=5.0 Hz, 1H), 3.85 (s, 3H), 2.55 (s, 3H); ESI-MS m/z 157 ([M+H]+).
Einzelnachweise
[1] Patent: WO2012/56478, 2012, A1. Location in patent: Page/Page column 75-76
[2] Patent: WO2007/124546, 2007, A1. Location in patent: Page/Page column 58
[3] Patent: WO2014/64131, 2014, A2. Location in patent: Page/Page column 114; 115
[4] Patent: WO2014/76104, 2014, A1. Location in patent: Page/Page column 79-80
[5] Journal of Medicinal Chemistry, 1995, vol. 38, # 24, p. 4806 - 4820

Methyl 3-methylthiophene-2-carboxylate Upstream-Materialien And Downstream Produkte

Methyl 3-methylthiophene-2-carboxylate Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

81452-54-2, Methyl 3-methylthiophene-2-carboxylate Verwandte Suche:

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