[(4-Methoxyphenyl)ethynyl](trimethyl)silane

• CAS: 3989-14-8
• Catalog Number: ACM3989148
• Category: Other Organosilicon
• Molecular Weight: 204.34
• Molecular Formula: C₁₂H₁₆OSi
• Synonyms: 3989-14-8, (4-Methoxyphenylethynyl)trimethylsilane, ((4-Methoxyphenyl)ethynyl)trimethylsilane, AC1MRSCH, SureCN673162, 563420_ALDRICH, CTK4I2055, MolPort-003-936-885, ANW-62525, AKOS015913663, AK101944, 2-(4-methoxyphenyl)ethynyl-trimethylsilane, KB-204965, Benzene,1-methoxy-4-[2-(trimethylsilyl)ethynyl]-, I14-45619
• IUPAC Name: 2-(4-methoxyphenyl)ethynyl-trimethylsilane
• SMILES: COC1=CC=C(C=C1)C#C[Si](C)(C)C
• InChI Key: GODVAYLZXZQBFP-UHFFFAOYSA-N
• Boiling Point: 96ºC1.5 mm Hg(lit.)
• Flash Point: 202 °F
• Density: 0.957 g/mL at 25ºC(lit.)
• Appearance: Transparent liquid
• Exact Mass: 204.09700
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• WGK Germany: 3

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C12H16OSi.

What is the molecular weight of the compound?

The molecular weight is 204.34 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 2-(4-methoxyphenyl)ethynyl-trimethylsilane.

What is the InChI of the compound?

The InChI is InChI=1S/C12H16OSi/c1-13-12-7-5-11(6-8-12)9-10-14(2,3)4/h5-8H,1-4H3

What is the InChIKey of the compound?

The InChIKey is GODVAYLZXZQBFP-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is COC1=CC=C(C=C1)C#C[Si](C)(C)C.

What is the CAS number of the compound?

The CAS number is 3989-14-8.

What is the EC number of the compound?

The EC number is 811-112-1.

What is the DSSTox Substance ID of the compound?

The DSSTox Substance ID is DTXSID90393054.

Is the compound canonicalized?

Yes, the compound is canonicalized.

Synthetic Use

Upstream Synthesis Route 1

• 75-77-4
• 768-60-5

• 3989-14-8

Reference: [1]Yamaguchi, Masahiko; Hayashi, Akio; Minami, Toru
[Journal of Organic Chemistry, 1991, vol. 56, # 13, p. 4091 - 4092]
[2]Jiang, Huiling; Zhu, Shizheng
[Tetrahedron Letters, 2005, vol. 46, # 3, p. 517 - 519]
[3]Huang, Pan; Xu, Dawen; Reich, Robert M.; Kaiser, Felix; Liu, Boping; Kühn, Fritz E.
[Tetrahedron Letters, 2019, vol. 60, # 24, p. 1574 - 1577]
[4]Wang, Yi-Fan; He, Yu-Han; Su, Yan; Ji, Yang; Li, Rui
[Journal of Organic Chemistry, 2022, vol. 87, # 5, p. 2831 - 2844]

Upstream Synthesis Route 2

• 696-62-8
• 1066-54-2

• 3989-14-8

Reference: [1]Van Overmeire; Boldin; Venkataraman; Zisling; De Jonghe; Van Calenbergh; De Keukeleire; Futerman; Herdewijn
[Journal of Medicinal Chemistry, 2000, vol. 43, # 22, p. 4189 - 4199]

Downstream Synthesis Route 1

• 201230-82-2
• 3989-14-8

• 13623-25-1

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

Downstream Synthesis Route 2

• 3989-14-8

• 157869-15-3

Reference: [1] ChemMedChem, 2016, vol. 11, # 20, p. 2347 - 2360

Downstream Synthesis Route 3

• 3989-14-8
• 39856-08-1

• 75-77-4
• 81787-68-0

Reference: [1]Babin; Lapouyade; Dunogues
[Canadian Journal of Chemistry, 1982, vol. 60, # 4, p. 379 - 382]

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