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[ CAS No. 195318-63-9 ]

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Chemical Structure| 195318-63-9
Chemical Structure| 195318-63-9
Structure of 195318-63-9 * Storage: {[proInfo.prStorage]}

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Alternatived Products of [ 195318-63-9 ]

Product Details of [ 195318-63-9 ]

CAS No. :195318-63-9 MDL No. :MFCD18398994
Formula : C9H9ClO2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W :184.62 g/mol Pubchem ID :-
Synonyms :

Safety of [ 195318-63-9 ]

Signal Word:Warning Class:
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 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 195318-63-9 ]

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

[ 195318-63-9 ] Synthesis Path-Downstream   1~16

YieldReaction ConditionsOperation in experiment
2-Chlor-4-methylbenzoesaeure, Me.;
  • 2
  • [ 67-56-1 ]
  • [ 201230-82-2 ]
  • [ 138642-63-4 ]
  • [ 195318-63-9 ]
YieldReaction ConditionsOperation in experiment
2.1 g With 1,1'-bis-(diphenylphosphino)ferrocene; triethylamine In dimethyl sulfoxide at 70℃; for 2h;
  • 3
  • [ 195318-63-9 ]
  • [ 143572-60-5 ]
YieldReaction ConditionsOperation in experiment
100% With N-Bromosuccinimide; Pentabrombenzoylbromid In tetrachloromethane for 5h; Heating;
95% With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) In chloroform at 80℃; for 12h; Inert atmosphere;
93% With tert.-butylhydroperoxide; cetyltrimethylammonim bromide; potassium bromide In water at 120℃; Microwave irradiation; General procedure: The reaction mixture was treated in a controlled microwavesynthesizer (Biotage Initiator+SP Wave model, 0-200 W at2.45 GHz, capped at 60 W during steady state) for severalminutes (the reaction attained 120 °C at 1 bar pressure). Thefinal products were isolated by column chromatographyusing an EtOAc-hexane gradient
With N-Bromosuccinimide; dibenzoyl peroxide In tetrachloromethane for 4h; Reflux; 74 4-Bromomethyl-2-chloro-benzoic acid methyl ester Preparation 74 4-Bromomethyl-2-chloro-benzoic acid methyl ester Add benzoyl peroxide (308 mg, 1.27 mmol) to a mixture of methyl-3-chloro-4-metylbenzoate (4.7 g, 25.5 mmol) and N-bromosuccinimide (4.98 g, 28.00 mmol) in anhydrous carbon tetrachloride (100 mL). Reflux the reaction mixture for 4 hrs and cool to room temperature. Filter the reaction mixture and concentrate the filtrate to provide the title compound as a crude oil (7.6g, 28.8 mmol). MS (m/z): 264 (M+1).

  • 4
  • [ 6640-27-3 ]
  • [ 195318-63-9 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: pyridine / CH2Cl2 / 4 h / 20 °C 2: 2.1 g / triethylamine; dppf / Pd(OAc)2 / dimethylsulfoxide / 2 h / 70 °C
  • 5
  • [ 195318-63-9 ]
  • [ 916913-65-0 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 100 percent / N-bromosuccinimide; benzoyl perbromide / CCl4 / 5 h / Heating 2: 68 percent / potassium carbonate / acetone / 7 h / 50 °C
  • 6
  • [ 195318-63-9 ]
  • 2-chloro-4-{2-[isobutyl-(5-methyl-furan-2-sulfonyl)-amino]-5-trifluoromethyl-phenoxymethyl}-benzoic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: 100 percent / N-bromosuccinimide; benzoyl perbromide / CCl4 / 5 h / Heating 2: 68 percent / potassium carbonate / acetone / 7 h / 50 °C 3: 86 percent / NaOH / methanol; dioxane / 1.5 h / 20 °C
  • 7
  • [ 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.
  • 8
  • [ 195318-63-9 ]
  • [ 39652-31-8 ]
YieldReaction ConditionsOperation in experiment
Stage #1: methyl 2-chloro-4-methylbenzoate With diisobutylaluminium hydride In dichloromethane at 0 - 20℃; Inert atmosphere; Stage #2: With rochelle salt In dichloromethane for 1h; 18.a (a) (2-chloro-4-methylphenyl)methanolMethyl 2-chloro-4-methylbenzoate (520 mg, 2.82 mmol) was dissolved in Dichloromethane (DCM) (15 mL) and at 0° C. Dibal-H (4.694 ml, 7.04 mmol) was slowly added. The mixture was left at 0° C. for 2H and then at room temperature overnight. Next morning HPLC showed no starting material remaining, reaction was quenched with Rochelle salt, and leaving under stirring for 1 hour and then it was extracted with DCM, dried and concentrated to afford 365 mg of the final compound, pure enough to be used in the next step.1H-NMR (δ ppm, CDCl3): 7.35-7.07 (m, 3H), 4.74 (s, 2H), 2.33 (s, 2H).
  • 9
  • [ 7697-25-8 ]
  • [ 77-78-1 ]
  • [ 195318-63-9 ]
  • 10
  • [ 615-65-6 ]
  • [ 195318-63-9 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: sulfuric acid; sodium nitrite / water / 0 - 5 °C 1.2: 5 - 100 °C / Reflux 2.1: sulfuric acid; acetic acid / water / 2 h / Reflux 3.1: N-ethyl-N,N-diisopropylamine / acetonitrile / 20 h
  • 11
  • [ 21423-84-7 ]
  • [ 195318-63-9 ]
  • 12
  • [ 195318-63-9 ]
  • 2-chloro-N-hydroxy-4-methylbenzamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
13% With hydroxylamine hydrochloride; potassium hydroxide In methanol at 0 - 20℃; for 20.5h; Method c General procedure: Unsubstituted or N-methylated hydroxylamine hydrochloride (13.4 mmol) was dissolved in hot MeOH (5 mL) and KOH (1.12 g, 20 mmol) in MeOH (4 mL) was added and mixture was immediately cooled to 0 °C for 30 min. Methyl ester of acid (6.7 mmol) was added and mixture was incubated at room temperature for 20 hours. Then AcOH (0.6 mL) was added and solvent was removed at reduced pressure. The residue was diluted with water, extracted with ethylacetate, and dried over Na2SO4. The solvent was removed at reduced pressure, and the oil was chromatographed on SiO2, eluting with CHCl3/EtOH, to give the raw product that was finally purified by washing with appropriate organic solvents. Yields 20-60 %.
  • 13
  • [ 195318-63-9 ]
  • 4-(azidomethyl)-2-chlorobenzoic acid, methyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) / chloroform / 12 h / 80 °C / Inert atmosphere 2: sodium azide / N,N-dimethyl-formamide / 12 h / 80 °C / Inert atmosphere
  • 14
  • [ 195318-63-9 ]
  • 3-((5-(2-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl)thio)-propanoic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: hydrazine hydrate / methanol / 14 h / 85 °C 2: potassium hydroxide / ethanol; water / 16 h / 95 °C / Inert atmosphere 3: potassium carbonate / acetone / 25 °C / Inert atmosphere 4: trifluoroacetic acid / dichloromethane / 3 h / 25 °C / Inert atmosphere
  • 15
  • [ 195318-63-9 ]
  • methyl 2-chloro-4-propylbenzoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: hydrazine hydrate / methanol / 14 h / 85 °C 2.1: lithium diisopropyl amide / tetrahydrofuran / 0.17 h / 0 °C 2.2: 1 h / 0 °C 3.1: sulfuric acid / 85 °C
  • 16
  • [ 195318-63-9 ]
  • 2-chloro-4-propylbenzohydrazide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: hydrazine hydrate / methanol / 14 h / 85 °C 2.1: lithium diisopropyl amide / tetrahydrofuran / 0.17 h / 0 °C 2.2: 1 h / 0 °C 3.1: sulfuric acid / 85 °C 4.1: hydrazine hydrate / methanol / 14 h / 85 °C
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