2-(1-(ethylsulfonyl)azetidin-3-ylidene)acetonitrile

2-(1-(ethylsulfonyl)azetidin-3-ylidene)acetonitrile Struktur
1187595-85-2
CAS-Nr.
1187595-85-2
Englisch Name:
2-(1-(ethylsulfonyl)azetidin-3-ylidene)acetonitrile
Synonyma:
2-[1-(Ethylsulfonyl)-3-azetidinylidene]acetonitrile;Baricitinib-010;Baricitinib Intermediates;Baricitinib intermediate 2;[1-(ethylsulfonyl)azetidin-3-ylidene]acetonitrile;2-(1-ETHYLSULFONY)AZETIDIN-3-YLIDENE)ACETONITRILE;(1-Ethanesulfonyl-azetidin-3-ylidene)-acetonitrile;2- [1- (Ethylsulfonyl) -3-aziridinyl] acetonitrile;2-(1-(ethylsulfonyl)azetidin-3-ylidene)acetonitrile;2-[1-(ethanesulfonyl)azetidin-3-ylidene]acetonitrile
CBNumber:
CB62715957
Summenformel:
C7H10N2O2S
Molgewicht:
186.23
MOL-Datei:
1187595-85-2.mol

2-(1-(ethylsulfonyl)azetidin-3-ylidene)acetonitrile Eigenschaften

Schmelzpunkt:
67-69°C
Siedepunkt:
360.8±52.0 °C(Predicted)
Dichte
1.33±0.1 g/cm3(Predicted)
storage temp. 
Sealed in dry,Room Temperature
Löslichkeit
DMSO (Slightly), Methanol (Slightly)
pka
-8.49±0.20(Predicted)
Aggregatzustand
Solid
Farbe
Off-White to Light Yellow
InChI
InChI=1S/C7H10N2O2S/c1-2-12(10,11)9-5-7(6-9)3-4-8/h3H,2,5-6H2,1H3
InChIKey
HQUIOHSYUKWGOM-UHFFFAOYSA-N
SMILES
C(#N)/C=C1\CN(S(CC)(=O)=O)C\1
Sicherheit
  • Risiko- und Sicherheitserklärung
  • Gefahreninformationscode (GHS)
HS Code  2933998090
Bildanzeige (GHS) GHS hazard pictograms
Alarmwort Warnung
Gefahrenhinweise
Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code
H315 Verursacht Hautreizungen. Hautreizung Kategorie 2 Warnung GHS hazard pictogramssrc="/GHS07.jpg" width="20" height="20" /> P264, P280, P302+P352, P321,P332+P313, P362
H319 Verursacht schwere Augenreizung. Schwere Augenreizung Kategorie 2 Warnung GHS hazard pictogramssrc="/GHS07.jpg" width="20" height="20" /> P264, P280, P305+P351+P338,P337+P313P
H335 Kann die Atemwege reizen. Spezifische Zielorgan-Toxizität (einmalige Exposition) Kategorie 3 (Atemwegsreizung) Warnung GHS hazard pictogramssrc="/GHS07.jpg" width="20" height="20" />
Sicherheit
P280 Schutzhandschuhe/Schutzkleidung/Augenschutz tragen.
P301+P312 BEI VERSCHLUCKEN: Bei Unwohlsein GIFTINFORMATIONSZENTRUM/Arzt/... (geeignete Stelle für medizinische Notfallversorgung vom Hersteller/Lieferanten anzugeben) anrufen.

2-(1-(ethylsulfonyl)azetidin-3-ylidene)acetonitrile Chemische Eigenschaften,Einsatz,Produktion Methoden

Verwenden

2-(1-(Ethylsulfonyl)azetidin-3-ylidene)acetonitrile is an intermediate in the synthesis of Baricitinib, a JAK 1 and 2 inhibitor used in the treatment of rheumatoid arthritis.

Synthese

2-(1-(ethylsulfonyl)azetidin-3-ylidene)acetonitrile is synthesized by first treating azetidine-3-ol hydrochloride with an equimolar equivalent of an alkanesulfonyl chloride, preferably ethanesulfonyl chloride, to give l-ethylsulfonylazetidin-3-ol. Preferably, the reaction is performed in a biphasic solution comprising a mixture of an organic phase and a aqueous phase, preferably THF with an aqueous solution which is basic, while maintaining the solution at room temperature or a temperature slightly below room temperature, preferably 20 °C. The reaction is followed to completion using standard monitoring techniques. Typically, the reaction is complete within 1 to 5 hours. The organic layer is removed, preferably by distillation, and the aqueous layer is extracted with an appropriate solvent such as toluene, p-cymene, and CPME. Preferably the extraction solvent is toluene. Alternatively, the toluene extractions can be excluded if recrystallization of 2-(1-(ethylsulfonyl)azetidin-3-ylidene)acetonitrile is performed.

synthesis route of 2-(1-(ethylsulfonyl)azetidin-3-ylidene)acetonitrile

2-(1-(ethylsulfonyl)azetidin-3-ylidene)acetonitrile Upstream-Materialien And Downstream Produkte

Upstream-Materialien

Downstream Produkte


2-(1-(ethylsulfonyl)azetidin-3-ylidene)acetonitrile Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

Global( 282)Lieferanten
Firmenname Telefon E-Mail Land Produktkatalog Edge Rate
Shanghai Jinli Pharmaceutical Co.,Ltd
+86-21-57256005 +86-15921811235
chang@shjlchem.com China 20 58
Jinan Million Pharmaceutical Co., Ltd
0531-68659554 +8613031714605
info@millionpharm.com China 252 58
Hangzhou ICH Biofarm Co., Ltd
+86-0571-28186870; +undefined8613073685410
sales@ichemie.com China 998 58
Capot Chemical Co.,Ltd.
+86-(0)57185586718 +86-13336195806
sales@capot.com China 29791 60
Shanghai Daken Advanced Materials Co.,Ltd
+86-371-66670886
info@dakenam.com China 18775 58
Beijing Cooperate Pharmaceutical Co.,Ltd
010-60279497
sales01@cooperate-pharm.com CHINA 1803 55
Henan Tianfu Chemical Co.,Ltd.
+86-0371-55170693 +86-19937530512
info@tianfuchem.com China 21634 55
ATK CHEMICAL COMPANY LIMITED
+undefined-21-51877795
ivan@atkchemical.com China 32957 60
career henan chemical co
+86-0371-86658258 +8613203830695
sales@coreychem.com China 29881 58
Shanghai Arbor Chemical Co., Ltd.
021-60451682
act@arborchemical.com CHINA 904 58

  • 2-[1-(ethanesulfonyl)azetidin-3-ylidene]acetonitrile
  • [1-(ethylsulfonyl)azetidin-3-ylidene]acetonitrile
  • 2-(1-(ethylsulfonyl)azetidin-3-ylidene)acetonitrile
  • 2-(1-(ethylsulfonyl)azetidin-3-ylidene)acetonitrile ISO 9001:2015 REACH
  • Baricitinib-010
  • 2-(1-ETHYLSULFONY)AZETIDIN-3-YLIDENE)ACETONITRILE
  • Baricitinib intermediates 2-(1-(ethylsulfonyl)azetidin-3-ylidene)acetonitrile
  • (1-Ethanesulfonyl-azetidin-3-ylidene)-acetonitrile
  • Acetonitrile, 2-[1-(ethylsulfonyl)-3-azetidinylidene]-
  • 2-[1-(Ethylsulfonyl)-3-azetidinylidene]acetonitrile
  • Baricitinib Intermediates
  • 2- [1- (Ethylsulfonyl) -3-azacyclobutyryl] acetonitrile
  • 2-[1-(ethyl sulfonyl) -3-azacyclobutyl] acetonitrile
  • Baricitinib intermediate 2
  • 2- [1- (Ethylsulfonyl) -3-aziridinyl] acetonitrile
  • 1187595-85-2
  • 1187595-85-2
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