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[ CAS No. 153203-80-6 ]

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2D
Chemical Structure| 153203-80-6
Chemical Structure| 153203-80-6
Structure of 153203-80-6 *Storage: {[proInfo.prStorage]}

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Product Details of [ 153203-80-6 ]

CAS No. :153203-80-6MDL No. :MFCD24483956
Formula : C8H4Cl2O3 Boiling Point : 366.7±42.0°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :219.02Pubchem ID :19788159
Synonyms :

Computed Properties of [ 153203-80-6 ]

TPSA : 54.4 H-Bond Acceptor Count : 3
XLogP3 : 2.2 H-Bond Donor Count : 1
SP3 : 0.00 Rotatable Bond Count : 2

Safety of [ 153203-80-6 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P280-P305+P351+P338UN#:N/A
Hazard Statements:H302Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 153203-80-6 ]

  • Upstream synthesis route of [ 153203-80-6 ]
  • Downstream synthetic route of [ 153203-80-6 ]

[ 153203-80-6 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 51-36-5 ]
  • [ 68-12-2 ]
  • [ 153203-80-6 ]
YieldReaction ConditionsOperation in experiment
82%
Stage #1: With n-butyllithium In tetrahydrofuran at -78℃; for 2 h;
Stage #2: at 20℃;
The reaction kettle is added compound XVI (190g, 1.0 µM), anhydrous THF (1L) dissolved, cooling to -78 °C, slowly adds by drops positively BuLi (2.5M, 0 . 5L), to maintain the temperature of the reaction 2 hours after DMF slowly adds by drops anhydrously (95g, 1.3 µM), the reaction temperature to room temperature slowly to the disappearance of the raw material, to join the semi-saturated ammonium chloride quenching, ethyl acetate after extracting the concentrated white solid, petroleum ether ethyl acetate system beating shall be required compound XII (179g, 82percent).
80%
Stage #1: With lithium diisopropyl amide In tetrahydrofuran at -78℃; Inert atmosphere
Stage #2: for 2 h;
Take 3,5-dichlorobenzoic acid (191mg, 1mmol) was dissolved in 5mL of anhydrous tetrahydrofuran, and argon protection, followed by cooling to -78 .At this temperature, slowly added dropwise 2N lithium diisopropylamide (LDA) in tetrahydrofuran (0.6 mL, 1.2mmol).Stirring was continued for 0.5 ~ 1h after addition was complete.It was then slowly added dropwise a solution of 0.5mL DMF 2mL of tetrahydrofuran, was added after the reaction was continued for 2h, TLC detection, reaction was almost completed. The residue was quenched with 1N dilute hydrochloric acid and evaporated to dryness. The residue was purified by column chromatography using ethyl acetate and water and the ethyl ester layer to give the title compound 3,5-dichloro-4-formylbenzoic acid (175 mg , 80percent).
Reference: [1] Patent: CN106565625, 2017, A, . Location in patent: Paragraph 0073-0074
[2] Patent: CN104341316, 2017, B, . Location in patent: Paragraph 0379; 0381; 0382
  • 2
  • [ 153203-78-2 ]
  • [ 153203-80-6 ]
Reference: [1] Patent: CN106565625, 2017, A, . Location in patent: Paragraph 0067-0068
  • 3
  • [ 153203-80-6 ]
  • [ 3699-66-9 ]
  • [ 1110767-89-9 ]
Reference: [1] Patent: EP2184279, 2010, A1, . Location in patent: Page/Page column 25
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