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Chemical Structure| 886499-40-7 Chemical Structure| 886499-40-7

Structure of 886499-40-7

Chemical Structure| 886499-40-7

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Product Details of [ 886499-40-7 ]

CAS No. :886499-40-7
Formula : C8H6ClFO3
M.W : 204.58
SMILES Code : O=C(O)C1=C(F)C=CC(OC)=C1Cl
MDL No. :MFCD04115942
InChI Key :UXTMPKFTDKMFOF-UHFFFAOYSA-N
Pubchem ID :3699961

Safety of [ 886499-40-7 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 886499-40-7 ]

* 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.

  • Upstream synthesis route of [ 886499-40-7 ]

[ 886499-40-7 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 886499-40-7 ]
  • [ 1017777-58-0 ]
YieldReaction ConditionsOperation in experiment
37%
Stage #1: With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 1 h;
Stage #2: With sodium azide; water In acetone at 0 - 70℃;
To a solution of 2-chloro-6-fiuoro-3-methoxy-benzoic acid (2.7 g, 13.2 mmol, 1.0 eq) in a mixture of DCM (20 mL) and DMF (3 drops) at 0 °C was added (COCl)2 (5.0 g, 39.6 mmol, 3.0 eq) dropwise. The reaction mixture was stirred at room temperature for lh, and then concentrated to dryness; the residue was dissolved in acetone (20 mL) and added dropwise to a solution of NaN3 (2.6 g, 39.6 mmol, 3.0 eq) in water (15 mL) at 0 °C. The reaction was stirred lh at 0 °C, water (50 mL) was added, then the reaction heated at 70°C overnight. The acetone was removed by distillation and the aqueous residue extracted with EtOAc. The combined organic extracts were washed with water and brine, dried ( a2S04), filtered and evaporated in vacuo to give a residue, which was purified by column chromatography (EtOAc:petroleum ether, 0:1 to 1 :30) to give the title compound as a yellow oil (0.85 g, 37 percent). LC-MS: m/z 176.0, 178.0 [M+H]+
References: [1] Patent: WO2013/37705, 2013, A2, . Location in patent: Page/Page column 104; 105.
 

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Technical Information

• Alkyl Halide Occurrence • Arndt-Eistert Homologation • Barbier Coupling Reaction • Baylis-Hillman Reaction • Bucherer-Bergs Reaction • Clemmensen Reduction • Complex Metal Hydride Reductions • Corey-Chaykovsky Reaction • Corey-Fuchs Reaction • Fischer Indole Synthesis • General Reactivity • Grignard Reaction • Hantzsch Dihydropyridine Synthesis • Henry Nitroaldol Reaction • Hiyama Cross-Coupling Reaction • Horner-Wadsworth-Emmons Reaction • Hunsdiecker-Borodin Reaction • Hydride Reductions • Julia-Kocienski Olefination • Kinetics of Alkyl Halides • Knoevenagel Condensation • Kumada Cross-Coupling Reaction • Leuckart-Wallach Reaction • McMurry Coupling • Meerwein-Ponndorf-Verley Reduction • Mukaiyama Aldol Reaction • Nomenclature of Ethers • Nozaki-Hiyama-Kishi Reaction • Passerini Reaction • Paternò-Büchi Reaction • Petasis Reaction • Pictet-Spengler Tetrahydroisoquinoline Synthesis • Preparation of Aldehydes and Ketones • Preparation of Amines • Preparation of Carboxylic Acids • Preparation of Ethers • 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 Carboxylic Acids • Reactions of Ethers • Reformatsky Reaction • Schlosser Modification of the Wittig Reaction • Schmidt Reaction • Specialized Acylation Reagents-Ketenes • Stetter Reaction • 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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