3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoic Acid

3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoic Acid Struktur
162401-62-9
CAS-Nr.
162401-62-9
Englisch Name:
3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoic Acid
Synonyma:
RofluM;Roflumilast Impurity J;Roflumilast Acid Impurity;Roflumilast intermediate B;RofluMilast InterMediate II;Acid Impurity of Roflumilast;Roflumilast USP Related Compound D;Roflumilast Carboxylic Acid Impurity;CYCLOPROPYL DIFLUOROMETHOXYBENOZOIC ACID;3-CyclopropylMethoxy-4-isopropoxy-benzoic acid
CBNumber:
CB02487690
Summenformel:
C12H12F2O4
Molgewicht:
258.22
MOL-Datei:
162401-62-9.mol

3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoic Acid Eigenschaften

Schmelzpunkt:
118-120℃
Siedepunkt:
356.4±37.0 °C(Predicted)
Dichte
1.355±0.06 g/cm3(Predicted)
storage temp. 
Sealed in dry,Room Temperature
Löslichkeit
DMSO (Slightly), Methanol (Slightly)
Aggregatzustand
Solid
pka
3.87±0.10(Predicted)
Farbe
White to Off-White
InChI
InChI=1S/C12H12F2O4/c13-12(14)18-9-4-3-8(11(15)16)5-10(9)17-6-7-1-2-7/h3-5,7,12H,1-2,6H2,(H,15,16)
InChIKey
IGFDIFLMMLWKKY-UHFFFAOYSA-N
SMILES
C(O)(=O)C1=CC=C(OC(F)F)C(OCC2CC2)=C1
CAS Datenbank
162401-62-9
Sicherheit
  • Risiko- und Sicherheitserklärung
  • Gefahreninformationscode (GHS)
Kennzeichnung gefährlicher T
R-Sätze: 25
S-Sätze: 45
RIDADR  2811
HazardClass  6.1
PackingGroup 
HS Code  2918999090
Bildanzeige (GHS) GHS hazard pictograms
Alarmwort Achtung
Gefahrenhinweise
Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code
H301 Giftig bei Verschlucken. Akute Toxizität oral Kategorie 3 Achtung GHS hazard pictogramssrc="/GHS06.jpg" width="20" height="20" /> P264, P270, P301+P310, P321, P330,P405, P501
Sicherheit
P301+P310 BEI VERSCHLUCKEN: Sofort GIFTINFORMATIONSZENTRUM/Arzt/... (geeignete Stelle für medizinische Notfallversorgung vom Hersteller/Lieferanten anzugeben) anrufen.

3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoic Acid Chemische Eigenschaften,Einsatz,Produktion Methoden

Verwenden

An impurity and intermediate in the preparation of selective phosphodiesterase 4 (PDE4) inhibitor, Roflumilast (R639700).

Synthese

3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoic Acid is synthesised using 3-cyclopropylmethoxy-4-difluoromethoxybenzaldehyde as raw material by chemical reaction. The specific synthesis steps are as follows:
3-cyclopropylmethoxy-4-difluoromethoxybenzaldehyde (12 g, 50 mmol) and sulfamic acid (7.3 g, 75 mmol) were dissolved in glacial acetic acid (50 ml) and the solution added with a solution of sodium chlorite (8.2 g, 75 mmol) in water (15 ml). The reaction mixture was stirred at room temperature for 1 hr then water (300 ml) was added so obtaining the precipitation of a solid that was filtered and dried at 40° C. under vacuum (12 g, 48 mmol, 97percent yield).
3-Cyclopropylmethoxy-4-difluoromethoxy-benzoic acid synthesis

3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoic Acid Upstream-Materialien And Downstream Produkte

Upstream-Materialien

Downstream Produkte


3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoic Acid Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

Global( 279)Lieferanten
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162401-62-9()Verwandte Suche:


  • 3-Cyclopropylmethoxy-4-difluoromethoxy-benzoic acid
  • 3-CyclopropyMethoxy-4-difluoroMethoxy benzoic acid
  • Benzoic acid, 3-(cyclopropylMethoxy)-4-(difluoroMethoxy)-
  • CYCLOPROPYL DIFLUOROMETHOXYBENOZOIC ACID
  • 3-CyclopropylMethoxy-4-isopropoxy-benzoic acid
  • RofluMilast InterMediate II
  • 3-Cyclopropylmethoxy-4-difluoromethoxybenzoic acid, >=98%
  • Roflumilast intermediate B
  • Roflumilast intermediate (3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid)
  • Roflumilast Acid Impurity
  • Roflumilast Impurity J
  • RofluM
  • Roflumilast Carboxylic Acid Impurity
  • Roflumilast USP Related Compound D
  • Acid Impurity of Roflumilast
  • 162401-62-9
  • C12H12O4F2
  • Roflumilast interemdiate
  • Intermediates
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