p-Tolyltriethoxysilane

• CAS: 18412-57-2
• Catalog Number: ACM18412572
• Category: Siloxanes
• Molecular Weight: 254.40
• Molecular Formula: C₁₃H₂₂O₃Si
• Synonyms: (4-MPh) triethoxysilane; triethoxy(4-methylphenyl)silane; p-Tol-Si(OEt)3; Triethoxy-p-tolylsilane; 4-methylphenyltriethoxysilane; (4-methylphenyl)triethylsiloxane
• IUPAC Name: triethoxy-(4-methylphenyl)silane
• Canonical SMILES: CCO[Si](C1=CC=C(C=C1)C)(OCC)OCC
• InChI Key: PADYPAQRESYCQZ-UHFFFAOYSA-N
• Boiling Point: 104-106ºC1.8 mm Hg(lit.)
• Flash Point: >230 °F
• Density: 0.986 g/mL at 25ºC(lit.)
• Appearance: Transparent liquid
• Exact Mass: 254.13400
• WGK Germany: 3

Custom Q&A

What is the IUPAC Name of the compound?

The IUPAC Name of the compound is triethoxy-(4-methylphenyl)silane.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C13H22O3Si/c1-5-14-17(15-6-2,16-7-3)13-10-8-12(4)9-11-13/h8-11H,5-7H2,1-4H3.

What is the InChIKey of the compound?

The InChIKey of the compound is PADYPAQRESYCQZ-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES of the compound is CCO[Si](C1=CC=C(C=C1)C)(OCC)OCC.

What is the CAS number of the compound?

The CAS number of the compound is 18412-57-2.

What is the Molecular Weight of the compound?

The Molecular Weight of the compound is 254.40 g/mol.

How many Hydrogen Bond Donor Count does the compound have?

The compound has 0 Hydrogen Bond Donor Count.

How many Hydrogen Bond Acceptor Count does the compound have?

The compound has 3 Hydrogen Bond Acceptor Count.

How many Rotatable Bond Count does the compound have?

The compound has 7 Rotatable Bond Count.

Is the Compound Is Canonicalized?

Yes, the compound is canonicalized.

Synthetic Use

Upstream Synthesis Route 1

• 78-10-4
• 106-38-7

• 18412-57-2

Reference: [1]Srimani, Dipankar; Sawoo, Sudeshna; Sarkar, Amitabha
[Organic Letters, 2007, vol. 9, # 18, p. 3639 - 3642]

Upstream Synthesis Route 2

• 998-30-1
• 624-31-7

• 18412-57-2
• 108-88-3

Reference: [1]Selin,T.G.; West,R.
[Journal of the American Chemical Society, 1962, vol. 84, p. 1856 - 1859]
Kim, Bo-Hye; Cho, Myong-Shik; Kim, Mi-Ae; Woo, Gee-Gweon
[Journal of Organometallic Chemistry, 2003, vol. 685, # 1-2, p. 93 - 98]
[2]Cheong, Hyeonsook; Roh, Sung-Hee; Cho, Myong-Shik; Kim, Myoung-Hee; Woo, Hee-Gweon; Yang, Kap-Seung; Kim, Bo-Hye; Jun, Jin; Sohn, Honglae
[Journal of Nanoscience and Nanotechnology, 2013, vol. 13, # 1, p. 702 - 705]

Downstream Synthesis Route 1

• 18412-57-2
• 258506-66-0

• 864913-65-5
• 53344-72-2

Reference: [1] Organic Letters, 2013, vol. 15, # 20, p. 5378 - 5381

Downstream Synthesis Route 2

• 626-55-1
• 18412-57-2

• 4423-09-0

Reference: [1]Murata, Miki; Suzuki, Katsuhiro; Watanabe, Shinji; Masuda, Yuzuru
[Journal of Organic Chemistry, 1997, vol. 62, # 24, p. 8569 - 8571]
[2]Manoso; DeShong
[Journal of Organic Chemistry, 2001, vol. 66, # 22, p. 7449 - 7455]

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