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Chemical Structure| 951884-02-9 Chemical Structure| 951884-02-9

Structure of 951884-02-9

Chemical Structure| 951884-02-9

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Product Details of [ 951884-02-9 ]

CAS No. :951884-02-9
Formula : C8H5BrClFO2
M.W : 267.48
SMILES Code : O=C(OC)C1=CC(Br)=C(Cl)C=C1F
MDL No. :MFCD09800902
InChI Key :CCCDFCRHGYGKGP-UHFFFAOYSA-N
Pubchem ID :26986196

Safety of [ 951884-02-9 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301-H311-H331
Precautionary Statements:P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Class:6.1
UN#:2811
Packing Group:

Application In Synthesis of [ 951884-02-9 ]

* 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 [ 951884-02-9 ]

[ 951884-02-9 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 716362-14-0 ]
  • [ 951884-02-9 ]
YieldReaction ConditionsOperation in experiment
With copper(ll) bromide; isopentyl nitrite; In acetonitrile; at 65.0℃; for 2.0h; lsoamyl nitrite (12.7 ml_, 94.8 mmol) was added to 5-amino-4-chloro-2- fluoro-benzoic acid methyl ester (14.8 g, 72.9 mmol) in acetonitrile (280 mL), followed by addition of CuBr2 (21.1 g, 94.8 mmol). Then the mixture was heated at 65 0C with stirring for 2 hrs, followed by partition between ethyl acetate and water. The organic layer was then washed with saturated NaHCO3 and brine and was dried over Na2SO4. The filtrate was concentrated and purified by silica gel chromatography eluting with ethyl acetate/hexane (1/1 ) to yield 5-bromo-4-chloro-2-fluoro-benzoic acid methyl ester (14.O g). MS: 268.0 (M+) from GC-MS; tR=2.53 min (method 1 );
  • 2
  • [ 951884-02-9 ]
  • [ 289038-22-8 ]
YieldReaction ConditionsOperation in experiment
5-Bromo-4-chloro-2-fluoro-benzoic acid methyl ester (14.0 g, 52.4 mmol) was stirred vigorously in a mixture of THF (250 ml) and 1 N NaOH (200 ml) for 16 hrs. The mixture was acidified to pH 3 with 6N HCI, concentrated partially to remove THF and then extracted with ethyl acetate. The organic phase was washed with water and brine and was dried over Na2SO4. The filtrate was concentrated to yield 5-bromo- 4-chloro-2-fluoro-benzoic acid (13.3 g).
  • 3
  • [ 1070893-15-0 ]
  • [ 951884-02-9 ]
  • 4
  • [ 35112-05-1 ]
  • [ 951884-02-9 ]
 

Historical Records

Technical Information

• Acyl Group Substitution • Alkyl Halide Occurrence • Baeyer-Villiger Oxidation • Barbier Coupling Reaction • Baylis-Hillman Reaction • Bouveault-Blanc Reduction • Bucherer-Bergs Reaction • Catalytic Hydrogenation • Clemmensen Reduction • Complex Metal Hydride Reductions • Corey-Bakshi-Shibata (CBS) Reduction • Corey-Chaykovsky Reaction • Ester Cleavage • Fischer Indole Synthesis • General Reactivity • Grignard Reaction • Henry Nitroaldol Reaction • Hiyama Cross-Coupling Reaction • Horner-Wadsworth-Emmons Reaction • Hydride Reductions • Kinetics of Alkyl Halides • Kumada Cross-Coupling Reaction • Lawesson's Reagent • Leuckart-Wallach Reaction • McMurry Coupling • Meerwein-Ponndorf-Verley Reduction • Passerini Reaction • Paternò-Büchi Reaction • Petasis Reaction • Peterson Olefination • Pictet-Spengler Tetrahydroisoquinoline Synthesis • Preparation of Aldehydes and Ketones • Preparation of Amines • Prins Reaction • Reactions of Aldehydes and Ketones • Reactions of Alkyl Halides with Reducing Metals • Reactions of Amines • Reactions of Benzene and Substituted Benzenes • Reactions of Dihalides • Reactions with Organometallic Reagents • Reformatsky Reaction • Robinson Annulation • Schlosser Modification of the Wittig Reaction • Schmidt Reaction • Specialized Acylation Reagents-Carbodiimides and Related Reagents • Specialized Acylation Reagents-Ketenes • Stille Coupling • Stobbe Condensation • Substitution and Elimination Reactions of Alkyl Halides • Suzuki Coupling • Tebbe Olefination • Ugi Reaction • Wittig Reaction • Wolff-Kishner Reduction

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