3-Chloropropyltris(Trimethylsiloxy)Silane

• CAS: 18077-31-1
• Catalog Number: ACM18077311-7
• Category: Main Products
• Molecular Weight: 373.19 g/mol
• Molecular Formula: C12H33ClO3Si4
• Synonyms: 3-chloropropyl-tris(trimethylsilyloxy)silane
• IUPAC Name: 3-chloropropyl-tris(trimethylsilyloxy)silane
• Canonical SMILES: C[Si](C)(C)O[Si](CCCCl)(O[Si](C)(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C12H33ClO3Si4/c1-17(2,3)14-20(12-10-11-13,15-18(4,5)6)16-19(7,8)9/h10-12H2,1-9H3
• InChI Key: MMWCHSBIWFYBBL-UHFFFAOYSA-N
• Boiling Point: 301.847 °C(760 mmHg)
• Flash Point: 113.858 °C
• Density: 0.933 g/mL
• Appearance: Light yellow liquid
• Complexity: 254
• Covalently-Bonded Unit Count: 1
• EC Number: 241-985-9
• Exact Mass: 372.119529g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 20
• Monoisotopic Mass: 372.119529g/mol
• Packaging: 10 g; 100 g
• Rotatable Bond Count: 9

Case Study

3-Chloropropyltris(Trimethylsiloxy)Silane for the Synthesis of 3-Tris(Trimethylsiloxy)Silylpropyl Sulfonate

Huang Y, et al. Langmuir, 2018, 34(14), 4382-4389.

3-Chloropropyltris(Trimethylsiloxy)Silane can be synthesized into 3-tris(trimethylsiloxy)silylpropyl sulfonate by thioester oxidation reaction. The specific synthesis route is as follows:
Preparation of S-3-Tris(trimethylsiloxy)silylpropylethanethiolate (Si4ASAc)
3-Chloropropyltri(trimethylsiloxy)silane (0.0134 mol, 5.0 g) and potassium thioacetate (0.023 mol, 2.68 g) were mixed and added to a reaction bottle, and then 10 mL of DMF was added and stirred at room temperature for 16 hours. After the reaction was completed, 30 mL of water was added, and the organic layer was separated and washed with water twice. Si4ASAc was then obtained by reduced pressure distillation.
Preparation of 3-Tris(trimethylsiloxy)silylpropyl Sulfonate Potassium Salt (Si4ASO3K)
Dissolve Si4ASAc (0.01 mol, 4.128 g) in 20 mL of ethanol, add potassium carbonate (0.005 mol, 0.691 g) and hydrogen peroxide (0.03 mol, 3.4 g), and stir at room temperature under neutral conditions for 20 hours. Then, remove the ethanol by vacuum distillation to obtain a colorless oil. The oil was dissolved in 10 mL of water, then extracted with 2 mL of dichloromethane, and finally, the aqueous phase was dried by vacuum distillation to obtain white solid Si4ASO3K.
Preparation of 3-Tris(trimethylsiloxy)silylpropyl Sulfonate sodium salt (Si4ASO3Na) and lithium salt (Si4ASO3Li)
The synthesis methods of Si4ASO3Na and Si4ASO3Li are the same as Si4ASO3K, with lithium carbonate and sodium carbonate replacing potassium carbonate respectively.

Custom Reviews

August 24, 2023

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A variety of packaging specifications
Product 3-chloropropyltris(trimethylsiloxy)silane of this platform has a variety of packaging specifications, and there are many choices.

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is 3-chloropropyl-tris(trimethylsilyloxy)silane.

What is the molecular formula of the compound?

The molecular formula of the compound is C12H33ClO3Si4.

What is the molecular weight of the compound?

The molecular weight of the compound is 373.18 g/mol.

What is the InChI key of the compound?

The InChI key of the compound is MMWCHSBIWFYBBL-UHFFFAOYSA-N.

What is the canonical SMILES notation of the compound?

The canonical SMILES notation of the compound is C[Si](C)(C)O[Si](CCCCl)(O[Si](C)(C)C)O[Si](C)(C)C.

What is the CAS number of the compound?

The CAS number of the compound is 18077-31-1.

What is the EC number of the compound?

The EC number of the compound is 241-985-9.

What is the Nikkaji number of the compound?

The Nikkaji number of the compound is J260.867G.

What is the monoistopic mass of the compound?

The monoistopic mass of the compound is 372.1195287 g/mol.

Is the compound canonicalized?

Yes, the compound is canonicalized.

Synthetic Use

Upstream Synthesis Route 1

• 75-77-4
• 2550-06-3

• 18077-31-1

Reference: [1]Huang, Yue; Meng, Lina; Guo, Mengdong; Zhao, Peijian; Zhang, Hongyan; Chen, Shuwen; Zhang, Jie; Feng, Shengyu
[Langmuir, 2018, vol. 34, # 14, p. 4382 - 4389]
Huang, Yue; Guo, Mengdong; Feng, Shengyu
[Langmuir, 2019, vol. 35, # 30, p. 9785 - 9793]
[2]Ryan,J.W. et al.
[Journal of the American Chemical Society, 1960, vol. 82, p. 3601 - 3604]
[3]Current Patent Assignee: ZHEJIANG SCI-TECH UNIVERSITY - CN106349274, 2017, A
Location in patent: Paragraph 0019; 0020; 0027; 0047; 0048; 0065; 0066

Downstream Synthesis Route 1

• 18077-31-1
• 75-50-3

• 29346-33-6

Reference: [1]Lane,T.H.; Speier,J.L.
[Journal of Organic Chemistry, 1976, vol. 41, p. 2714 - 2716]

Downstream Synthesis Route 2

• 123-75-1
• 18077-31-1

• 144052-78-8

Reference: [1]Lukevits, E.; Luse, V.; Zitsmane, I.; Liepin'sh, E.; Trushule, M.; et al.
[Chemistry of Heterocyclic Compounds, 1991, vol. 27, # 12, p. 1328 - 1338][Khimiya Geterotsiklicheskikh Soedinenii, 1991, # 12, p. 1653 - 1664]

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