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Chemical Structure| 24823-81-2 Chemical Structure| 24823-81-2

Structure of 24823-81-2

Chemical Structure| 24823-81-2

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Product Details of [ 24823-81-2 ]

CAS No. :24823-81-2
Formula : C6H14O3
M.W : 134.17
SMILES Code : CCC(OC)(OC)OC
MDL No. :MFCD00043305
InChI Key :ZGMNAIODRDOMEK-UHFFFAOYSA-N
Pubchem ID :141145

Safety of [ 24823-81-2 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H225-H315-H319
Precautionary Statements:P210-P305+P351+P338
Class:3
UN#:3272
Packing Group:

Application In Synthesis of [ 24823-81-2 ]

* 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 [ 24823-81-2 ]

[ 24823-81-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 24823-81-2 ]
  • [ 13506-76-8 ]
  • [ 61940-22-5 ]
YieldReaction ConditionsOperation in experiment
91% at 95 - 100℃; for 2h; 6.5.1. Preparation of Methyl 2-methyl-6-nitrobenzoate (0174) A mixture of <strong>[13506-76-8]2-methyl-6-nitrobenzoic acid</strong> (300.0 g, 1.66 moles, from Acros Organics, Morris Plains, N.J.) and trimethyl orthoacetate (298.3 g, 2.48 moles, from Aldrich Chemicals, Milwaukee, Wis.) was charged into a 3-L 3-necked flask at about 20-25 C. under nitrogen. The reaction mixture was gradually heated and the low-boiling point components generated during the reaction were distilled off to an internal temperature of 95-100 C. After 2 hours, the reaction mixture was cooled to 20-25 C. over 1-2 hours. After heptane (1.50 L, from Aldrich Chemicals) was charged into the reaction mixture over 1.0-1.5 hours, the reaction mixture was seeded with methyl 2-methyl-6-nitrobenzoate (0.5 g) when it became turbid. The suspension was cooled to 0-5 C. over 0.5-1 hour and kept at 0-5 C. for another 1.5-2 hours. The solid was collected by filtration under vacuum, washed with heptane (3×300 mL), and dried to a constant weight in a tray at 30-35 C. under a vacuum at 100-120 ton. The yield of methyl 2-methyl-6-nitrobenzoate was 292.0 g (91%), based on 300.0 g of <strong>[13506-76-8]2-methyl-6-nitrobenzoic acid</strong>. The product was found to have a purity of >99% measured by HPLC based on area percentage, and a water content of <0.1% measured by Karl Fisher titration.
 

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