Basic information Safety Supplier Related

3-CHLORO-4-ISOPROPOXY-BENZOIC ACID

Basic information Safety Supplier Related

3-CHLORO-4-ISOPROPOXY-BENZOIC ACID Basic information

Product Name:
3-CHLORO-4-ISOPROPOXY-BENZOIC ACID
Synonyms:
  • 3-chloro-4-propan-2-yloxybenzoic Acid
  • 3-CHLORO-4-ISOPROPOXY-BENZOIC ACID
  • Benzoic acid, 3-chloro-4-(1-methylethoxy)-
  • 3-Chloro-4-(1-methylethoxy)benzoic acid
  • Ozanimod Impurity 51
CAS:
213598-07-3
MF:
C10H11ClO3
MW:
214.65
Mol File:
213598-07-3.mol
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3-CHLORO-4-ISOPROPOXY-BENZOIC ACID Chemical Properties

storage temp. 
Sealed in dry,Room Temperature
Appearance
White to off-white Solid
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3-CHLORO-4-ISOPROPOXY-BENZOIC ACID Usage And Synthesis

Synthesis

916596-04-8

213598-07-3

Step 2: Synthesis of 3-chloro-4-isopropoxybenzoic acid (34). To a stirred solution of 3-chloro-4-isopropoxybenzonitrile (33, 57 g, 291 mmol) in ethanol (EtOH, 120 mL) was added an aqueous 12% potassium hydroxide (KOH) solution (300 mL), and the reaction mixture was heated to 100 °C and kept for 3 h. The reaction was carried out with the addition of aqueous potassium hydroxide (KOH). Upon completion of the reaction, the mixture was cooled to room temperature and acidified with hydrochloric acid (HCl) to pH 5. A yellow solid precipitated during the acidification process, which was collected by filtration, washed with water and dried. The resulting solid was mixed with hexane, stirred for 5 minutes and decanted to remove the hexane. The process was repeated once, and the solid was resuspended in hexane, filtered, and washed with hexane to give 3-chloro-4-isopropoxybenzoic acid (34) as a white solid (45 g, 72% yield).

References

[1] Patent: WO2017/4609, 2017, A1. Location in patent: Paragraph 0277
[2] Patent: WO2017/4608, 2017, A1. Location in patent: Paragraph 0153

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