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[ CAS No. 118688-54-3 ] {[proInfo.proName]}

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Chemical Structure| 118688-54-3
Chemical Structure| 118688-54-3
Structure of 118688-54-3 * Storage: {[proInfo.prStorage]}
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Product Details of [ 118688-54-3 ]

CAS No. :118688-54-3 MDL No. :
Formula : C27H18O6 Boiling Point : -
Linear Structure Formula :- InChI Key :SXGSTTJNKYIOOF-UHFFFAOYSA-N
M.W : 438.43 Pubchem ID :53421635
Synonyms :

Safety of [ 118688-54-3 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 118688-54-3 ]

* 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 [ 118688-54-3 ]

[ 118688-54-3 ] Synthesis Path-Downstream   1~17

  • 4
  • [ 118688-54-3 ]
  • (5S,17S,24S)-5,17,24-triisobutyl-4,7,15,18,23,26-hexaaza-1,11(1,3,5),2,8,14,20,21,27(1,3)-octabenzenabicyclo[9.9.9]nonacosaphane-9,12,28-triyne-3,6,16,19,22,25-hexaone [ No CAS ]
  • 5
  • [ 117025-64-6 ]
  • [ 118688-54-3 ]
  • 6
  • [ 118688-54-3 ]
  • [ 221021-03-0 ]
  • 7
  • [ 221020-97-9 ]
  • [ 118688-54-3 ]
  • 9
  • [ 118688-54-3 ]
  • [ 127867-99-6 ]
  • 10
  • [ 67-56-1 ]
  • zinc nitrate tetrahydrate [ No CAS ]
  • [ 118688-54-3 ]
  • [ 7732-18-5 ]
  • [ 33513-42-7 ]
  • [ 1310-73-2 ]
  • 4Zn(2+)*2HO(1-)*2C27H15O6(3-)*5C3H7NO*2CH4O*2H2O [ No CAS ]
  • 11
  • [ 626-39-1 ]
  • [ 99769-19-4 ]
  • [ 118688-54-3 ]
YieldReaction ConditionsOperation in experiment
88% H3BTMB was synthesized by the method described in Tetrahedron 66 (2010) 3553-3563. Specifically, a mixture containing 1,3,5-tribromobenzene (0.500 g), m-methoxycarbonyl phenylboronic acid (1.0560 g), K3PO4 (2.3586 g), and Pd(PPh3)4 (0.0550 g) was stirred in 1,4-dioxane (50 mL) in a nitrogen atmosphere at 90 C. for 3 days. The reaction mixture was cooled to room temperature, and the solvent was evaporated. The residue was dissolved in CH2Cl2, washed with water, and dried over MgSO4. The product was purified by silica gel column chromatography, which used CH2Cl2/n-hexane=(2:1Delta1:0) for elution, and the third main product was obtained. The obtained product was recrystallized with CH2Cl2/n-hexane. The recrystallized product was dissolved in 45 mL of MeOH, 25 mL of 6-N NaOH aqueous solution was added to the reaction mixture, and the mixture was refluxed at 95 C. overnight. The reaction mixture was cooled to room temperature, 20 mL of concentrated HCl was added thereto, and the mixture was stirred for 1 hour. The white precipitate was filtered and vacuum-dried, thereby obtaining H3BTMB with a yield of 88%. FIG. 1a) shows the single crystal X-ray structure of the resulting H3BTMB. In the following Examples, anions derived from H3BTMB are noted as BTMB or BTMB3-.
  • 12
  • [ 67-56-1 ]
  • zinc nitrate tetrahydrate [ No CAS ]
  • [ 118688-54-3 ]
  • [ 33513-42-7 ]
  • 4Zn(2+)*2HO(1-)*2C27H15O6(3-)*5C3H7NO*2CH4O*2H2O [ No CAS ]
YieldReaction ConditionsOperation in experiment
With sodium hydroxide; In water; at 20 - 100℃; for 52.0h;pH 6.0; A solid mixture of H3BTMB (11 mg, 0.025 mmol) and Zn(NO3)2.4H2O (13 mg, 0.05 mmol) was dissolved in a mixed solution of DMF/MeOH/H2O (0.5 mL/0.25 mL/0.25 mL) in a 2-mL glass medicine bottle. To the reaction mixture, 20 μL of NaOH (0.01 M) was added as a deprotonation agent. The initial pH was 6.0. The entire reaction mixture was heated in a temperature-controllable oven from room temperature to 100 C. over 4 hours, and then heated at 100 C. for 48 hours. The oven was cooled from 100 C. to 30 C. over 6 hours. The resulting product, which contained uniform colorless flake-shaped crystals, was washed with MeOH, isolated, and air-dried. The actual amount was 15 mg, and the yield per mole of H3BTMB was 74%. The following single crystal X-ray diffraction etc., showed that single crystals of PCP (1) as synthesized had a structure of [Zn4(μ3-OH)2(BTMB)2(DMF)3(MeOH)].(DMF)2(H2O)2(MeOH) (FIGS. 1 and 2). FIG. 1 shows an ORTEP diagram, in which hydrogen atoms were omitted for clarity.
  • 13
  • lead(II) nitrate [ No CAS ]
  • [ 118688-54-3 ]
  • [ 33513-42-7 ]
  • C27H16O6(2-)*C3H7NO*Pb(2+) [ No CAS ]
  • 14
  • [ 96868-61-0 ]
  • [ 118688-54-3 ]
YieldReaction ConditionsOperation in experiment
83% With 2-chloropyridine; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; cobalt(II,III) oxide; oxygen; acetic acid; Dimethyl succinate; at 160℃; under 9000.9 Torr; for 24.0h; General procedure: (29) Preparation of Y-type polybiphenyl polycarboxylic acids (Formulas (I) to (II)a=1) from polymethylpolybiphenyls,[1,3,5-Tris(3-methylphenyl)benzeneMolybdenum Oxide2-ChloropyridineButyl fatty acid sodium 2,2,6,6-tetramethyl piperidine nitrous oxide (0.040 mmol),1.2MPa oxygen (diethyl succinate + acetic acid)160C24 hours(1.0/0.01/0.02/0.01/0.01)], operated in the same manner as in Example 1, with a yield of 83%. _: (1) Preparation of Y-type polybiphenyl polycarboxylic acid from polymethylpolybiphenyl (formula (I) to (II)a=1),[1,3,5-tris(4-methylphenyl)benzene(cobalt chloride + acetylacetonate)2-aminopyridine sodium dodecyl fatty acid (2,2,6,6-tetramethyl piperidine nitrogen oxide (also known as Tempo) + potassium persulfate),1.0MPa Oxygen (dimethyl succinate + acetic acid)140C24 hours(1.0/0.005/0.005/0.005/0.005)]
  • 15
  • [ 67-56-1 ]
  • cobalt(II) nitrate hexahydrate [ No CAS ]
  • zinc nitrate tetrahydrate [ No CAS ]
  • [ 118688-54-3 ]
  • [ 7732-18-5 ]
  • [ 33513-42-7 ]
  • 2C27H15O6(3-)*2CH4O*5C3H7NO*2Zn(2+)*2Co(2+)*2H2O*2HO(1-) [ No CAS ]
  • 16
  • [ 67-56-1 ]
  • nickel(II) nitrate hexahydrate [ No CAS ]
  • zinc nitrate tetrahydrate [ No CAS ]
  • [ 118688-54-3 ]
  • [ 7732-18-5 ]
  • [ 33513-42-7 ]
  • 2C27H15O6(3-)*2CH4O*5C3H7NO*2Zn(2+)*2Ni(2+)*2H2O*2HO(1-) [ No CAS ]
  • 17
  • [ 118688-54-3 ]
  • [ 110139-25-8 ]
  • [ 2935384-20-4 ]
YieldReaction ConditionsOperation in experiment
Stage #1: benzene-1,3,5-tris(m-benzoic acid) With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃; Inert atmosphere; Stage #2: N-dodecyl-L-alaninamide In N,N-dimethyl-formamide at 20℃; Inert atmosphere;
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