4-(tert-Butylcarbonylvinyl)pyrocatechol

Base Information

• Chemical Name: 4-(tert-Butylcarbonylvinyl)pyrocatechol
• CAS No.: 66596-39-2
• Molecular Formula: C₁₃H₁₆O₃
• Molecular Weight: 220.268
• Hs Code.: 2914501900
• Nikkaji Number: J87.055B
• Wikidata: Q76387778

Synonyms:4-(tert-Butylcarbonylvinyl)pyrocatechol;BRN 2262819;Pyrocatechol, 4-(tert-butylcarbonylvinyl)-;66596-39-2;1-Penten-3-one, 1-(3,4-dihydroxyphenyl)-4,4-dimethyl-;SCHEMBL19088711;LS-136414;1-(3,4-Dihydroxyphenyl)-4,4-dimethyl-1-penten-3-one;1-(3,4-DIHYDROXYPHENYL)-4,4-DIMETHYLPENT-1-EN-3-ONE

Chemical Property of 4-(tert-Butylcarbonylvinyl)pyrocatechol

Chemical Property:

• Vapor Pressure: 9.03E-07mmHg at 25°C
• Boiling Point: 394°C at 760 mmHg
• PKA: 9.41±0.10(Predicted)
• Flash Point: 206.2°C
• PSA: 57.53000
• Density: 1.156g/cm³
• LogP: 2.72620
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 220.109944368
• Heavy Atom Count: 16
• Complexity: 275

Purity/Quality:

99% ^*data from raw suppliers

4-(TERTBUTYLCARBONYLVINYL)PYROCATECHOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(tert-Butylcarbonylvinyl)pyrocatechol

There total 1 articles about 4-(tert-Butylcarbonylvinyl)pyrocatechol 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:

3,3-dimethyl-butan-2-one (75-97-8) + 3,4-dihydroxybenzaldehyde (139-85-5) → (E)-1-(3,4-Dihydroxy-phenyl)-4,4-dimethyl-pent-1-en-3-one (66596-39-2)

Guidance literature:

With diammonium phosphate; In acetic acid; Heating;

Reference yield:

(E)-1-(3,4-Dihydroxy-phenyl)-4,4-dimethyl-pent-1-en-3-one (66596-39-2) → 4-((E)-3-Hydroxy-4,4-dimethyl-pent-1-enyl)-benzene-1,2-diol (66596-49-4)

Guidance literature:

With sodium tetrahydroborate; In methanol;

upstream raw materials:

3,3-dimethyl-butan-2-one

3,4-dihydroxybenzaldehyde

Downstream raw materials:

4-((E)-3-Hydroxy-4,4-dimethyl-pent-1-enyl)-benzene-1,2-diol

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

✦Write with AI

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 66596-39-2 1-(3,4-Dihydroxyphenyl)-4,4-dimethyl-1-penten-3-one

Send

Send

Metric Ton KG G Pound L ML

Send

Send