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[ CAS No. 29150-63-8 ]

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Chemical Structure| 29150-63-8
Chemical Structure| 29150-63-8
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Product Details of [ 29150-63-8 ]

CAS No. :29150-63-8 MDL No. :MFCD22381057
Formula : C12H6S3 Boiling Point : -
Linear Structure Formula :- InChI Key :N/A
M.W :246.37 g/mol Pubchem ID :-
Synonyms :

Safety of [ 29150-63-8 ]

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

Application In Synthesis of [ 29150-63-8 ]

  • Downstream synthetic route of [ 29150-63-8 ]

[ 29150-63-8 ] Synthesis Path-Downstream   1~15

  • 4
  • [ 29150-63-8 ]
  • [ 211737-28-9 ]
  • 2,5,8-tris(5-hexyl-2-thienyl)benzo[1,2-b:3,4-b':5,6-b'']trithiophene [ No CAS ]
  • 5
  • [ 29150-63-8 ]
  • [ 655249-04-0 ]
  • 2,5,8-tris[5-(5-hexyl-2-thienyl)-2-thienyl]benzo[1,2-b:3,4-b':5,6-b'']trithiophene [ No CAS ]
  • 6
  • [ 351014-15-8 ]
  • [ 29150-63-8 ]
YieldReaction ConditionsOperation in experiment
67% With sodium sulfide nonahydrate; In 1-methyl-pyrrolidin-2-one; at 190℃; for 12h;Inert atmosphere; 50mL round bottom flask was added compound 2 (0.94g, 2mmol), sodium sulfide nonahydrate (2.67g, 12mmol) and N- methylpyrrolidinone (20mL), 190 under nitrogen for 12 hours.After the reaction was cooled to room temperature, poured into aqueous ammonium chloride solution, filtered, the cake washed with petroleum ether and subjected to silica gel column chromatography eluent, to give a white solid 3 (0.33g, 67% yield).
62% With sodiumsulfide nonahydrate; In 1-methyl-pyrrolidin-2-one; at 180 - 190℃; for 38h; Synthesis Example 3 Synthesis of benzo[1,2-b:3,4-b':5,6-b"]trithiophene (Scheme 1-(2)) [Show Image] In a 30 mL round-bottom flask, sodium sulfide nonahydrate (7.74 g, 32.2 mmol) and NMP (138 mL) were placed and stirred for 15 minutes. Subsequently, 1,3,5-trichloro-2,4,6-tris(trimethylsilylethynyl)benzene (3.0 g, 6.38 mmol) obtained in Synthesis Example 2 was added and heated at 180-190C for 38 hours. After completion of the reaction, the reaction mixture was poured into a saturated aqueous ammonium chloride solution (700 mL) and a precipitated solid substance was obtained by filtration. The resultant solid substance was extracted with chloroform (210 mL), washed with saturated saline solution and dried over anhydrous magnesium sulfate. After the solvent was distilled away under reduced pressure and purification was performed by column chromatography (hexane, butch, Rf = 0.5) to obtain a white solid substance (814 mg, 62%). 1H-NMR(270MHz,CDCl3)δ7.64(d,J=5.4Hz,3H)7.54(d,J=5.4Hz,3H); 13C-NMR(99.5MHz,CDCl3)δ131.94, 131.55, 125.11, 122.44; M.S.(70eV,EI)m/z=246(M+); m.p.156.7-157.7C
60% With sodiumsulfide nonahydrate; In 1-methyl-pyrrolidin-2-one; at 185 - 195℃; for 12h; Under nitrogen atmosphere, sodium sulfide nonahydrate (1.54 g, 6.42 mmol) was added to anhydrous NMP (40 ml) and the mixture was stirred for ten minutes. To this mixture, 1,3,5-trichloro-2,4,6-tris[(trimethylsilyl)ethinyl]benzene (Compound 100)(500 mg, 1.07 mmol) was added, followed by heating at 185C to 195C for 12 hours. Upon completion of the reaction, the mixture was poured into water (400 ml) and precipitated solid was collected by filtration. The solid thus obtained was dissolved in chloroform (200 ml), and the resulting solution was washed with saturated saline. The solution was dried over anhydrous magnesium sulfate and the solvent was removed under reduced pressure. Solid thus obtained was purified by a column chromatography (silica gel and hexane), thereby white crystalline Compound 104 was obtained (156 mg, yield: 60%). 1H-NMR (270 MHz, CDCl3) δ7.64 (d, J=5.4 Hz, 3H) 7.54 (d, J=5.4 Hz, 3H), M.S. (70eV, EI) m/z=246 (M+)
  • 8
  • [ 29150-63-8 ]
  • [ 1174223-26-7 ]
YieldReaction ConditionsOperation in experiment
76% With N-Bromosuccinimide; In dichloromethane; acetic acid; at 20℃; for 48h;Inert atmosphere; Darkness; Example 4 Synthesis of 2,5,8-Tribromobenzo[1,2-b:3,4-b':5,6-b"]trithiophene (33) [Show Image] Under a nitrogen atmosphere, in a 50 mL three-neck flask, benzo[1,2-b:4,5-b':5.6-b"]trithiophene (800 mg, 3.25 mmol) obtained in Synthesis Example 3, methylene chloride (22.7 mL) and acetic acid (5.7 mL) were added. Under light exclusion conditions, NBS (1.73 g, 9.74 mmol) was added little by little and stirred at room temperature 48 hours. After completion of the reaction, water (20 mL) was added. A precipitated solid substance was obtained by filtration and washed with ethanol (50 mL) and THF (20 mL) to obtain a light purple solid substance (1.2 g, 76%). 1H-NMR(270MHz,CDCl3)δ7.51(s,3H);M.S.(70eV,EI)m/z=484(M+)
52% With N-Bromosuccinimide; In chloroform; for 12h;Inert atmosphere; Reflux; General procedure: Under a nitrogen gas stream to IC-7-3 (14.5 g, 60.33 mmol) obtained in Step 2 and NBS (11.81 g, 66.36 mmol) in 200 ml of chloroform was refluxed for 12 hours. After the reaction was terminated by using MgSO4 and the organic layer was separated with methylene chloride to remove the water from the organic layer. After removing the solvent in water is removed, the organic layer was purified by column chromatography (Hexane: MC = 15: 1 (v / v)) to obtain the IC-7-2 (11.75 g, yield 61%). Instead of IC-7-3 (14.5 g, 60.33 mmol) and NBS (11.81 g, 66.36 mmol) the IC-12-3 (20 g, 81.18 mmol) and NBS (47.68To g, 267.89 mmol), and performs the same procedure of the Preparation Example 7 step 3 to obtain a IC-15-2 (20.39 g, yield 52%).
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  • [ 1260140-90-6 ]
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  • [ 1260140-86-0 ]
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  • [ 1260140-87-1 ]
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  • [ 1260140-92-8 ]
  • 15
  • [ 29150-63-8 ]
  • [ 111-83-1 ]
  • [ 1227939-54-9 ]
  • [ 1227939-55-0 ]
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