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Chemical Structure| 195318-63-9 Chemical Structure| 195318-63-9

Structure of 195318-63-9

Chemical Structure| 195318-63-9

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Product Details of [ 195318-63-9 ]

CAS No. :195318-63-9
Formula : C9H9ClO2
M.W : 184.62
SMILES Code : O=C(OC)C1=CC=C(C)C=C1Cl
MDL No. :MFCD18398994
InChI Key :PJZFAIKANVMKKU-UHFFFAOYSA-N
Pubchem ID :22019481

Safety of [ 195318-63-9 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 195318-63-9 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 195318-63-9 ]

[ 195318-63-9 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 67-56-1 ]
  • [ 7697-25-8 ]
  • [ 195318-63-9 ]
YieldReaction ConditionsOperation in experiment
With thionyl chloride; at 20℃; Preparation 18; Used to Prepare Example 71 (a) methyl 2-chloro-4-methylbenzoate<strong>[7697-25-8]2-chloro-4-methylbenzoic acid</strong> (500 mg, 2.93 mmol) was dissolved in Methanol (7 mL) and SOCl2 (0.215 mL, 2.93 mmol) was slowly added to the mixture and the reaction was left at room temperature overnight. Next morning HPLC showed completion. Volatiles were removed under vacuum to afford 526 mg of the title compound as brown oil.1H-NMR (delta ppm, DMSO): 7.71 (d, 1H), 7.40 (s, 1H), 7.25 (s, 1H), 3.81 (s, 3H), 2.33 (s, 3H).
With hydrogenchloride; In 1,4-dioxane; at 20℃; Preparation 71 2-Chloro-4-methyl-benzoic acid methyl ester Add 4N hydrogen chloride in 1,4-dioxane (20 mL, 80 mmol) to <strong>[7697-25-8]2-chloro-4-methylbenzoic acid</strong> (5.0 g, 29.3 mmol) in methanol (60 mL). Stir the reaction mixture at room temperature over the weekend. Concentrate the reaction mixture and partition the residue between ethyl acetate and saturated aqueous sodium bicarbonate solution. Separate the organic layer and extract the aqueous with ethyl acetate (2*). Combine the organic layers, wash with brine, dry over sodium sulfate, and concentrate to provide the title compound as a brownish oil (4.7 g, 25.5 mmol). The following compounds are prepared essentially by the method of Preparation 71.
  • 2
  • [ 7697-25-8 ]
  • [ 77-78-1 ]
  • [ 195318-63-9 ]
 

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