1-Buten-2-ol, 3,3-dimethyl-1,1-bis(2,4,6-trimethylphenyl)-

Base Information

• Chemical Name: 1-Buten-2-ol, 3,3-dimethyl-1,1-bis(2,4,6-trimethylphenyl)-
• CAS No.: 89959-16-0
• Molecular Formula: C24H32O
• Molecular Weight: 336.517
• DSSTox Substance ID: DTXSID90444878
• Nikkaji Number: J403.602F
• Mol file: 89959-16-0.mol

Synonyms:89959-16-0;1-Buten-2-ol, 3,3-dimethyl-1,1-bis(2,4,6-trimethylphenyl)-;DTXSID90444878;1-tert-Butyl-2,2-dimesitylvinyl alcohol

Chemical Property of 1-Buten-2-ol, 3,3-dimethyl-1,1-bis(2,4,6-trimethylphenyl)-

Chemical Property:

• XLogP3: 7.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 336.245315640
• Heavy Atom Count: 25
• Complexity: 427

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)C(=C(C(C)(C)C)O)C2=C(C=C(C=C2C)C)C)C

Technology Process of 1-Buten-2-ol, 3,3-dimethyl-1,1-bis(2,4,6-trimethylphenyl)-

There total 3 articles about 1-Buten-2-ol, 3,3-dimethyl-1,1-bis(2,4,6-trimethylphenyl)- 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: 74.0%

C4H12N(1+)*C24H31O(1-) → 1,1-dimesityl-3,3-dimethylbuten-2-ol (89959-16-0)

Guidance literature:

C₄H₁₂N⁽¹⁺⁾*C₂₄H₃₁O^(1-); at 50 ℃; Inert atmosphere;

With sodium hydrogencarbonate;

DOI:10.1016/j.tet.2009.10.039

Reference yield:

bis(mesityl)ketene (87871-33-8) + tert.-butyl lithium (594-19-4) → 2,2-bis(2,4,6-trimethylphenyl)acetic acid (5740-42-1) + 1,1-dimesityl-3,3-dimethylbuten-2-ol (89959-16-0)

Guidance literature:

In diethyl ether; pentane; at -40 ℃; for 3h;

DOI:10.1021/ja00298a042

Reference yield:

1,1-dimesityl-3,3-dimethyl-2-butanone (96040-95-8) → 1,1-dimesityl-3,3-dimethylbuten-2-ol (89959-16-0)

Guidance literature:

trifluoroacetic acid; In hexane; at 80.4 ℃; for 6h; Equilibrium constant; Thermodynamic data; ΔG⁰;

DOI:10.1021/ja00298a042

upstream raw materials:

bis(mesityl)ketene

tert.-butyl lithium

1,1-dimesityl-3,3-dimethyl-2-butanone

Downstream raw materials:

chlorodi(η(5)-cyclopentadienyl)(1,1-dimesityl-3,3-dimethyl-1-butenyloxy)titanium(IV)

[C₆H₂(CH₃)3]2CC[C(CH₃)3]OZr(CH₃)(C₅H₅)2

[C₆H₂(CH₃)3]2CC[C(CH₃)3]OZrCl(C₅H₅)2

2,2-bis(3,5-dibromomesityl)-1-tert-butylvinyl acetate