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[ CAS No. 826-55-1 ]

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Chemical Structure| 826-55-1
Chemical Structure| 826-55-1
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Product Details of [ 826-55-1 ]

CAS No. :826-55-1 MDL No. :MFCD00014332
Formula : C10H12O2 Boiling Point : 270.5°C at 760 mmHg
Linear Structure Formula :- InChI Key :N/A
M.W :164.20 g/mol Pubchem ID :13222
Synonyms :

Safety of [ 826-55-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 826-55-1 ]

  • Upstream synthesis route of [ 826-55-1 ]
  • Downstream synthetic route of [ 826-55-1 ]

[ 826-55-1 ] Synthesis Path-Upstream   1~8

  • 1
  • [ 98-82-8 ]
  • [ 4522-40-1 ]
  • [ 826-55-1 ]
  • [ 536-66-3 ]
  • [ 5651-47-8 ]
  • [ 2438-04-2 ]
Reference: [1] Journal of the Chemical Society, 1954, p. 1079,1080, 1084
[2] Journal of the Chemical Society, 1954, p. 1079,1080, 1084
  • 2
  • [ 98-82-8 ]
  • [ 88982-51-8 ]
  • [ 826-55-1 ]
  • [ 536-66-3 ]
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  • [ 2438-04-2 ]
Reference: [1] Journal of the Chemical Society, 1954, p. 1079,1080, 1084
  • 3
  • [ 98-82-8 ]
  • [ 2875-37-8 ]
  • [ 826-55-1 ]
  • [ 536-66-3 ]
  • [ 5651-47-8 ]
  • [ 2438-04-2 ]
Reference: [1] Journal of the Chemical Society, 1954, p. 1079,1080, 1084
  • 4
  • [ 98-82-8 ]
  • [ 1822-71-5 ]
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  • [ 536-66-3 ]
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  • [ 2438-04-2 ]
Reference: [1] Journal of the Chemical Society, 1954, p. 1079,1080, 1084
  • 5
  • [ 64-17-5 ]
  • [ 826-55-1 ]
  • [ 2901-13-5 ]
YieldReaction ConditionsOperation in experiment
96%
Stage #1: With thionyl chloride In dichloromethane for 15 h; Reflux
Example 1: Synthesis of 2,2-dimethylphenylacetic acid ethyl ester
In a 10L reaction flask, add 2,2-dimethylphenylacetic acid(500g, 3.1mol), 2.5L methylene chloride solution. Stir at room temperature. Add thionyl chloride (750g, 6.3mol). Warmed the reaction system to reflux and react for 15H. Then slowly add dropwise 400mL of absolute ethanol and stir for some time. until the reaction was complete by TLC after adjusted to pH 9-10 with NaOHsolution, divided the organic layer was washed twice with saturated sodiumbicarbonate, and saturated sodium chloride twice and dried and concentrated togive 2,2-dimethylphenylacetic acid ethyl ester 560g, 96percent).
31 g Reflux 1) the α,α-dimethyl-phenylacetic acid is dissolved in ethanol in water-free, α, α-dimethylphenyl acetic acid in the molar concentration of anhydrous ethanol is 1.5-2mol/L, then adding equivalent to α, α-dimethyl benzyl acetic acid weight 2-3percent solid loading a heteropolyacid catalyst PW12/SiO2, reflux reaction 2-3h, separating the catalyst, reducing pressure and evaporating ethanol filtrate, the residue is dissolved in dichloromethane, are sequentially water, saturated sodium bicarbonate aqueous solution and water, anhydrous magnesium sulphate dried after-filtration, filtrate reducing pressure and evaporating the solvent, the residue is distilled under reduced pressure to continue, collecting the fraction 130-133° C/85kPa, shall be colorless transparent liquid α, α-dimethylphenyl acetic acid ethyl ester;
Reference: [1] Patent: CN104276952, 2016, B, . Location in patent: Paragraph 0027; 0028
[2] MedChemComm, 2013, vol. 4, # 2, p. 367 - 370
[3] Tetrahedron, 2009, vol. 65, # 2, p. 456 - 460
[4] Journal of the American Chemical Society, 1968, vol. 90, p. 2082 - 2096
[5] Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2001, vol. 40, # 8, p. 717 - 718
[6] Patent: CN103333100, 2016, B, . Location in patent: Paragraph 0017; 0018
  • 6
  • [ 101-97-3 ]
  • [ 74-88-4 ]
  • [ 826-55-1 ]
  • [ 2901-13-5 ]
Reference: [1] Pesticide Science, 1999, vol. 55, # 8, p. 850 - 856
  • 7
  • [ 826-55-1 ]
  • [ 100510-65-4 ]
Reference: [1] MedChemComm, 2013, vol. 4, # 2, p. 367 - 370
  • 8
  • [ 826-55-1 ]
  • [ 154477-55-1 ]
Reference: [1] Patent: CN106380441, 2017, A,
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