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[ CAS No. 51857-41-1 ]

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2D
Chemical Structure| 51857-41-1
Chemical Structure| 51857-41-1
Structure of 51857-41-1 *Storage: {[proInfo.prStorage]}

Quality Control of [ 51857-41-1 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 51857-41-1 ]

SDS

Product Details of [ 51857-41-1 ]

CAS No. :51857-41-1MDL No. :MFCD00983556
Formula :C9H11BrOBoiling Point :-
Linear Structure Formula :-InChI Key :N/A
M.W :215.09Pubchem ID :10822548
Synonyms :

Computed Properties of [ 51857-41-1 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 51857-41-1 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P305 P351 P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 51857-41-1 ]

  • Downstream synthetic route of [ 51857-41-1 ]

[ 51857-41-1 ] Synthesis Path-Downstream   1~10

  • 2
  • [ 51857-41-1 ]
  • [ 18162-48-6 ]
  • [ 205182-85-0 ]
  • 3
  • [ 51857-41-1 ]
  • [ 407-25-0 ]
  • Trifluoro-acetic acid 4-bromo-2,3,6-trimethyl-phenyl ester [ No CAS ]
  • 4
  • [ 2416-94-6 ]
  • [ 51857-41-1 ]
YieldReaction ConditionsOperation in experiment
100% Step 1 - Synthesis of 4-bromo-2,3.6-trimethyl phenolTo a solution of 2,3,6-trimethylphenol (40 g; 0.294 mol) in DCM (600 ml) at ambient temperature was added a solution of bromine (16.6 ml; 0.294 mol) in DCM (300 ml) dropwise over 30 mins. Reaction stirred for a further 5 hrs at ambient temperature. A solution of IM sodium sulfite (300 ml) was added. The layers were separated and the aq. layer extracted with DCM (150 ml). Organics combined, washed with half sat. brine (300 ml), dried (anh. MgSO4), filtered and the solvent evaporated to give a white solid (66.2 g; 105% Th.). 1H NMR (300MHz, CDCl3), delta/ppm; 2.19 (3H, s, Ar- CH3), 2.22 (3H, s, Ar-CH3), 2.34 (3H, s, Ar-CH3), 7.18 (IH, s, Ar-H).
With bromine; In acetic acid; A. 136 g (1 mole) of 2,3,6-trimethylphenol was dissolved in 900 g of acetic acid, and a solution prepared by dissolving 160 g (1 mole) of bromine in 100 g of acetic acid was added dropwise thereto in one hour. The reaction was conducted at a room temperature. Upon dropwise addition, the color of bromine instantly disappeared and the reaction proceeded immediately. After the completion of the dropwise addition, hydrogen bromide formed was expelled with nitrogen gas to obtain quantitatively [51857-41-1]2,3,6-trimethyl-4-bromophenol having a melting point of 91 - 92C.
  • 6
  • [ 51857-41-1 ]
  • [ 124-41-4 ]
  • [ 53651-61-9 ]
  • 7
  • [ 51857-41-1 ]
  • [ 935-92-2 ]
YieldReaction ConditionsOperation in experiment
80.0% With nitric acid; In acetic acid; B. 21.5 g (0.1 mole) of [51857-41-1]2,3,6-trimethyl-4-bromophenol obtained in the above (A) was dissolved in 100 g of acetic acid, and 10 g of concentrated nitric acid was added dropwise thereto in 30 minutes under stirring. The reaction proceeded immediately. After continuing the stirring for another 30 minutes, the reaction solution was subjected to steam distillation. The same treatment as in Example 1 (B) was conducted to obtain 12.0 g of 2,3,6-trimethyl-p-benzoquinone. (Yield: 80.0 percent)
  • 8
  • [ 51857-41-1 ]
  • (E)-6-(6-tert-Butoxycarbonylamino-2-methoxy-3,4-dimethyl-phenyl)-4-methyl-hex-4-enoic acid methyl ester [ No CAS ]
  • 9
  • [ 51857-41-1 ]
  • [ 182011-45-6 ]
  • 10
  • [ 51857-41-1 ]
  • (E)-6-(2-amino-6-methoxy-4,5-dimethyl-3-nitrophenyl)-4-methyl-4-hexenoic acid [ No CAS ]
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