3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoic Acid
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- CAS-Nr.
- 162401-62-9
- Englisch Name:
- 3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoic Acid
- Synonyma:
- 3-Cyclopropylmethoxy-4-difluoromethoxy-benzoic acid;RofluM;Roflumilast Impurity J;Roflumilast Impurity 33;Roflumilast Acid Impurity;Roflumilast intermediate B;RofluMilast InterMediate II;Acid Impurity of Roflumilast;Roflumilast Related Compound D;Roflumilast USP Related Compound D
- CBNumber:
- CB02487690
- Summenformel:
- C12H12F2O4
- Molgewicht:
- 258.22
- MOL-Datei:
- 162401-62-9.mol
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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 |
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| R-Sätze: |
25 |
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| S-Sätze: |
45 |
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| RIDADR |
2811 |
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| WGK Germany |
WGK 3 |
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| HazardClass |
6.1 |
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| PackingGroup |
Ⅲ |
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| HS Code |
2918999090 |
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| Speicherklasse |
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects |
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| Hazard Classifications |
Acute Tox. 3 Oral |
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| Bildanzeige (GHS) |
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| Alarmwort |
Achtung
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| Gefahrenhinweise |
| Code |
Gefahrenhinweise |
Gefahrenklasse |
Abteilung |
Alarmwort |
Symbol |
P-Code |
| H301 |
Giftig bei Verschlucken. |
Akute Toxizität oral |
Kategorie 3 |
Achtung |
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P264, P270, P301+P310, P321, P330,P405, P501 |
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| Sicherheit |
| P301+P310 |
BEI VERSCHLUCKEN: Sofort GIFTINFORMATIONSZENTRUM/Arzt/... (geeignete Stelle für medizinische Notfallversorgung vom Hersteller/Lieferanten anzugeben) anrufen. |
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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 Upstream-Materialien And Downstream Produkte
Upstream-Materialien
Downstream Produkte
3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoic Acid Anbieter Lieferant Produzent Hersteller Vertrieb Händler.
Global( 285)Lieferanten
162401-62-9()Verwandte Suche:
- 3-CyclopropyMethoxy-4-difluoroMethoxy benzoic acid
- Benzoic acid, 3-(cyclopropylMethoxy)-4-(difluoroMethoxy)-
- CYCLOPROPYL DIFLUOROMETHOXYBENOZOIC ACID
- 3-CyclopropylMethoxy-4-isopropoxy-benzoic acid
- RofluMilast InterMediate II
- Roflumilast intermediate (3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid)
- Roflumilast Acid Impurity
- 3-Cyclopropylmethoxy-4-difluoromethoxybenzoic acid, >=98%
- Roflumilast intermediate B
- Roflumilast Impurity J
- RofluM
- Roflumilast Carboxylic Acid Impurity
- Roflumilast Related Compound D
- Roflumilast USP Related Compound D
- Acid Impurity of Roflumilast
- Roflumilast Impurity 33
- 3-Cyclopropylmethoxy-4-difluoromethoxy-benzoic acid
- 162401-62-9
- C12H12O4F2
- Roflumilast interemdiate
- Intermediates
