2-Propenoic acid, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester

Base Information

• Chemical Name: 2-Propenoic acid, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester
• CAS No.: 30392-11-1
• Molecular Formula: C₁₈H₂₆O₂
• Molecular Weight: 274.403
• DSSTox Substance ID: DTXSID20454400
• Wikidata: Q82275904
• Mol file: 30392-11-1.mol

Synonyms:30392-11-1;2-Propenoic acid, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester;DTXSID20454400

Chemical Property of 2-Propenoic acid, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester

Chemical Property:

• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 274.193280068
• Heavy Atom Count: 20
• Complexity: 333

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Propenoic acid, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester

There total 3 articles about 2-Propenoic acid, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester 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:

2,6-Bis(1,1-dimethylethyl)-4-methylphenyl 2-diazo-3-butenoate (125641-00-1) → 2,6-Bis(1,1-dimethylethyl)-4-methylphenyl propenoate (30392-11-1)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / CH₂Cl₂ / 0.5 h / 0 °C

2: Rh₂(TFA)4 / CH₂Cl₂ / 2 h / Heating

With triethylamine; tetrakis(trifluoroacetato)rhodium(II); In dichloromethane;

DOI:10.1021/jo00128a027

Reference yield:

2,6-Bis(1,1-dimethylethyl)-4-methylphenyl 3-(trimethylsiloxy)-2-diazo-3-butenoate → 2,6-Bis(1,1-dimethylethyl)-4-methylphenyl propenoate (30392-11-1)

Guidance literature:

tetrakis(trifluoroacetato)rhodium(II); In dichloromethane; for 2h; Yield given; Heating;

DOI:10.1021/jo00128a027

Reference yield:

2,6-di-tert-butyl-4-methylphenol potassium salt (1209-80-9) + acryloyl chloride (814-68-6,25189-84-8) → 2,6-Bis(1,1-dimethylethyl)-4-methylphenyl propenoate (30392-11-1)

Guidance literature:

In diethylene glycol dimethyl ether;

upstream raw materials:

2,6-di-tert-butyl-4-methylphenol potassium salt

acryloyl chloride

2,6-Bis(1,1-dimethylethyl)-4-methylphenyl 2-diazo-3-butenoate

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