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Chemical Structure| 6399-81-1 Chemical Structure| 6399-81-1

Structure of 6399-81-1

Chemical Structure| 6399-81-1

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CAS No.: 6399-81-1

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Product Details of [ 6399-81-1 ]

CAS No. :6399-81-1
Formula : C18H16BrP
M.W : 343.20
SMILES Code : [H]Br.P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
MDL No. :MFCD00035107
InChI Key :CMSYDJVRTHCWFP-UHFFFAOYSA-N
Pubchem ID :80811

Safety of [ 6399-81-1 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H314
Precautionary Statements:P260-P280-P301+P312-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310
Class:8
UN#:3261
Packing Group:Ⅲ

Application In Synthesis of [ 6399-81-1 ]

* 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 [ 6399-81-1 ]

[ 6399-81-1 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 6399-81-1 ]
  • [ 205877-13-0 ]
  • (2-Amino-3-methoxy-benzyl)-triphenyl-phosphonium; bromide [ No CAS ]
  • 2
  • [ 3381-87-1 ]
  • [ 6399-81-1 ]
  • 2-(Benzyloxy)benzyltriphenylphosphonium bromide [ No CAS ]
YieldReaction ConditionsOperation in experiment
84.4% In acetonitrile; for 5h;Heating / reflux; 15.15 g (70.7 mmol) of the benzyl alcohol IIIa and 21.86 g (63.7 mmol) of triphenyl-phosphonium hydrobromide in 240 ml of acetonitrile are heated at reflux for 5 hours. The solvent is evaporated under reduced pressure, and diethyl ether is then added. The solid is filtered and dried under reduced pressure.Yield: 32.24 g (84.4% of theory)1H-NMR (200 MHz, d6-DMSO): 7.80-6.60 (m, 24H), 5.20 (d, J=15 Hz, 2H), 4.40 (s, 2H)
  • 3
  • dichloromethane hydrate [ No CAS ]
  • [ 6399-81-1 ]
  • [ 151899-61-5 ]
  • [ 151899-62-6 ]
YieldReaction ConditionsOperation in experiment
In dichloromethane; EXAMPLE 5 This Example illustrates the preparation of 1-trityl-3-iodo-1,2,4-triazole. A solution of 1-trityl-5-iodo-1,2,4-triazole (5.5 g, prepared as described in Example 4) and triphenylphosphine hydrobromide (0.1 g) in dichloromethane (60 ml) was stirred for five minutes, diluted with dichloromethane and washed with 0.1M sodium thiosulphate solution (100 ml). The organic layer was dried over magnesium sulphate, evaporated under reduced pressure and the residue chromatographed, using dichloromethane-ether (25:2) as eluant, to give the title compound (5.37 g, m.p. 245-246 C.). NMR (CDCl3): delta7.1-7.3(15H,m), 7.8(1H,s). 13 C NMR confirmed position of substitution. CI M/S: MH+, 438.
  • 4
  • [ 75476-86-7 ]
  • [ 6399-81-1 ]
  • C27H23Br2P [ No CAS ]
YieldReaction ConditionsOperation in experiment
68% In benzene; at 90℃; A mixture of 15A (11 g, 51.6 mmol) and Ph3P-HBr (17.7 g, 51.6 mmol) in benzene (35 ml_) was heated at 90 9C overnight. After cooling to RT, the solid was filtered and dried in vacuo. The solid was washed with Et2O and acetone, and then vacuum dried to afford 15B (18.9 g, 68%).
  • 5
  • [ 2568-25-4 ]
  • [ 6399-81-1 ]
  • [ 3020-30-2 ]
  • [ 100-52-7 ]
 

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