3-Methyl-6-(trimethylsilyl)cyclohex-3-ene-1-carboxylic acid

Base Information

• Chemical Name: 3-Methyl-6-(trimethylsilyl)cyclohex-3-ene-1-carboxylic acid
• CAS No.: 88946-52-5
• Molecular Formula: C₁₁H₂₀O₂Si
• Molecular Weight: 212.364
• DSSTox Substance ID: DTXSID50555257
• Mol file: 88946-52-5.mol

Synonyms:88946-52-5;DTXSID50555257;3-Methyl-6-(trimethylsilyl)cyclohex-3-ene-1-carboxylic acid

Chemical Property of 3-Methyl-6-(trimethylsilyl)cyclohex-3-ene-1-carboxylic acid

Chemical Property:

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 212.123256411
• Heavy Atom Count: 14
• Complexity: 263

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CCC(C(C1)C(=O)O)[Si](C)(C)C

Technology Process of 3-Methyl-6-(trimethylsilyl)cyclohex-3-ene-1-carboxylic acid

There total 3 articles about 3-Methyl-6-(trimethylsilyl)cyclohex-3-ene-1-carboxylic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3-(trimethylsilyl)prop-2-ynoic acid (5683-31-8) → 3-Methyl-6-(trimethylsilyl)-3-cyclohexen-1-carbonsaeure (88946-52-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 88 percent / H₂, quinoline / Lindlar-cat. / hexane / Ambient temperature

2: 12 h / 90 °C

With quinoline; hydrogen; Lindlar's catalyst; In hexane;

Reference yield:

3-trimethylsilyl-2-propyn-1-ol (5272-36-6) → 3-Methyl-6-(trimethylsilyl)-3-cyclohexen-1-carbonsaeure (88946-52-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 82 percent / CrO₃ / acetone; aq. H₂SO₄ / 14 h / Ambient temperature

2: 88 percent / H₂, quinoline / Lindlar-cat. / hexane / Ambient temperature

3: 12 h / 90 °C

With quinoline; chromium(VI) oxide; hydrogen; Lindlar's catalyst; In hexane; sulfuric acid; acetone;

Reference yield:

cis-3-(Trimethylsilyl)-2-propensaeure (88946-47-8) + isoprene (78-79-5,9003-31-0) → 3-Methyl-6-(trimethylsilyl)-3-cyclohexen-1-carbonsaeure (88946-52-5) + 4-Methyl-6-(trimethylsilyl)-3-cyclohexen-1-carbonsaeure (88946-51-4)

Guidance literature:

at 90 ℃; for 24h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

upstream raw materials:

cis-3-(Trimethylsilyl)-2-propensaeure

isoprene

3-(trimethylsilyl)prop-2-ynoic acid

3-trimethylsilyl-2-propyn-1-ol