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Structure

4-Trimethylsilylethynylbenzonitrile 97

CAS
75867-40-2
Catalog Number
ACM75867402
Category
Other Products
Molecular Weight
199.328
Molecular Formula
C12H13NSi

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Specification

Synonyms
4-[(Trimethylsilyl)ethynyl]benzonitrile, 75867-40-2, ACMC-20amqu, SureCN853691, 658391_ALDRICH, CTK2G8539, AG-H-02534, 4-TRIMETHYLSILYLETHYNYLBENZONITRILE, 4-[2-(Trimethylsilyl)ethynyl]benzonitrile, Benzonitrile, 4-[(trimethylsilyl)ethynyl]-, 4-[2 inverted exclamation marka-(Trimethylsilyl)ethynyl]benzonitrile
IUPAC Name
4-(2-trimethylsilylethynyl)benzonitrile
Canonical SMILES
C[Si](C)(C)C#CC1=CC=C(C=C1)C#N
InChI Key
WWNSLIBJQBBKKG-UHFFFAOYSA-N
Boiling Point
266.154ºC at 760 mmHg
Melting Point
107-111ºC
Flash Point
114.766ºC
Density
0.992g/cm³
Exact Mass
199.08200
Hazard Statements
Xi
H-Bond Acceptor
1
H-Bond Donor
0
Safety Description
26

Upstream Synthesis Route 1

  • 623-00-7
  • 1066-54-2
  • 75867-40-2

Reference: [1]Fang, Jing-Kun; An, De-Lie; Wakamatsu, Kan; Ishikawa, Takeharu; Iwanaga, Tetsuo; Toyota, Shinji; Akita, Shin-Ichi; Matsuo, Daisuke; Orita, Akihiro; Otera, Junzo
[Tetrahedron, 2010, vol. 66, # 29, p. 5479 - 5485]

Upstream Synthesis Route 2

  • 66107-32-2
  • 1066-54-2
  • 75867-40-2

Reference: [1]Journal of Medicinal Chemistry,1998,vol. 41,p. 4036 - 4052
[2]Journal of Organic Chemistry,2001,vol. 66,p. 4165 - 4169

Downstream Synthesis Route 1

  • 201230-82-2
  • 75867-40-2
  • 69975-66-2

Reference: [1] Journal of Organic Chemistry, 1993, vol. 58, # 20, p. 5386 - 5392

Downstream Synthesis Route 2

  • 75867-40-2
  • 3032-92-6

Reference: [1] Tetrahedron, 2003, vol. 59, # 3, p. 287 - 293

Downstream Synthesis Route 3

  • 75867-40-2
  • 919791-41-6
  • 3032-92-6

Reference: [1] Chemistry - A European Journal, 2014, vol. 20, # 10, p. 2746 - 2749

Downstream Synthesis Route 4

  • 201230-82-2
  • 75867-40-2
  • 69975-66-2

Reference: [1]Journal of Organic Chemistry,1993,vol. 58,p. 5386 - 5392

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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