4-(Trimethylsilyl)-3-butyn-2-ol

• CAS: 6999-19-5
• Catalog Number: ACM6999195
• Category: Alkynes
• Molecular Weight: 142.27
• Molecular Formula: C₇H₁₄OSi
• Synonyms: 4-Trimethylsilyl-3-butyn-2-ol, 6999-19-5, 4-trimethylsilylbut-3-yn-2-ol, 4-(Trimethylsilyl)-3-butyn-2-ol, SBB009027, (R)-4-TRIMETHYLSILYL-3-BUTYN-2-OL, ACMC-20mpjc, 3-Butyn-2-ol, 4-(trimethylsilyl)-, (2S)-, ACMC-1BFEY, AC1MC3KN, AGN-PC-00GQTW, 666955_ALDRICH, 1-trimethylsilylbut-1-yne-3-ol, CTK5D1661, HJJSDJHRTMFJLP-UHFFFAOYSA-, MolPort-000-159-289, 121522-26-7, 121522-27-8, 3-Butyn-2-ol,4-(trimethylsilyl)-, ANW-35808
• IUPAC Name: 4-trimethylsilylbut-3-yn-2-ol
• Canonical SMILES: CC(C#C[Si](C)(C)C)O
• InChI Key: HJJSDJHRTMFJLP-UHFFFAOYSA-N
• Boiling Point: 76ºC
• Flash Point: 143 °F
• Density: 0.995
• Appearance: Transparent liquid
• Exact Mass: 142.08100
• Hazard Statements: H315-H319-H335
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Packing Group: III
• RIDADR: UN 1993BE 3 / PGII
• Safety Description: S23-S24/25
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C7H14OSi.

What is the molecular weight of the compound?

The molecular weight of the compound is 142.27 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 4-trimethylsilylbut-3-yn-2-ol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C7H14OSi/c1-7(8)5-6-9(2,3)4/h7-8H,1-4H3.

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC(C#C[Si](C)(C)C)O.

What is the CAS number of the compound?

The CAS number of the compound is 6999-19-5.

What is the EC number of the compound?

The EC number of the compound is 628-368-3.

What is the hydrogen bond donor count of the compound?

The hydrogen bond donor count of the compound is 1.

Is the compound canonicalized?

Yes, the compound is canonicalized.

Synthetic Use

Upstream Synthesis Route 1

• 5930-98-3

• 6999-19-5
• 121522-26-7

Reference: [1]Journal of Organic Chemistry,1992,vol. 57,p. 1242 - 1252
[2]Journal of the American Chemical Society,1996,vol. 118,p. 10938 - 10939
[3]Organic and Biomolecular Chemistry,2004,vol. 2,p. 749 - 769
[4]Tetrahedron Asymmetry,2013,vol. 24,p. 81 - 88
[5]ACS Catalysis,2021,vol. 11,p. 2034 - 2040

Upstream Synthesis Route 2

• 5930-98-3

• 6999-19-5

Reference: [1]Journal of the American Chemical Society,1997,vol. 119,p. 8738 - 8739

Downstream Synthesis Route 1

• 6999-19-5

• 2914-69-4

Reference: [1] Journal of the American Chemical Society, 2000, vol. 122, # 42, p. 10482 - 10483
[2] Journal of the American Chemical Society, 2001, vol. 123, # 41, p. 9974 - 9983
[3] Journal of the American Chemical Society, 2016, vol. 138, # 34, p. 11038 - 11043

Downstream Synthesis Route 2

• 6999-19-5
• 21286-54-4

• 149002-74-4

Reference: [1]Tetrahedron Letters,1993,vol. 34,p. 2383 - 2386

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