4-(1,1,3,3-Tetramethylbutyl)pyrocatechol

Base Information

• Chemical Name: 4-(1,1,3,3-Tetramethylbutyl)pyrocatechol
• CAS No.: 1139-46-4
• Molecular Formula: C14H22 O2
• Molecular Weight: 222.327
• European Community (EC) Number: 214-520-2
• NSC Number: 163999
• UNII: K4WKG57BQX
• DSSTox Substance ID: DTXSID10150606
• Nikkaji Number: J203.392E
• Wikidata: Q83016757
• Mol file: 1139-46-4.mol

Synonyms:4-tert-octylcatechol

Chemical Property of 4-(1,1,3,3-Tetramethylbutyl)pyrocatechol

Chemical Property:

• Vapor Pressure: 6.07E-05mmHg at 25°C
• Melting Point: 108-109°C
• Boiling Point: 335.6°C at 760 mmHg
• Flash Point: 152.2°C
• PSA: 40.46000
• Density: 1.014g/cm³
• LogP: 3.81160
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Dichloromethane (Slightly), Ethyl Acetate (Slightly), Met
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 222.161979940
• Heavy Atom Count: 16
• Complexity: 227

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(2,4,4-Trimethylpentan-2-yl)benzene-1,2-diol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 4-(1,1,3,3-Tetramethylbutyl)pyrocatechol

There total 12 articles about 4-(1,1,3,3-Tetramethylbutyl)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:

benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) + isobutene (115-11-7,15220-85-6) → 3,5-Di-tert-butylcatechol (1020-31-1,122983-47-5,881376-69-8) + 4-tert-Butylcatechol (98-29-3) + 4-(tert-octyl)catechol (1139-46-4)

Guidance literature:

1-butyl-3-methylimidazolium heptachlorodiindate (III); at 110 ℃; for 1.5h; Product distribution / selectivity; In ionic liquid;

Reference yield:

2,4,4-trimethyl-1-pentene (107-39-1) + benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) → 4-tert-Butylcatechol (98-29-3) + 4-(tert-octyl)catechol (1139-46-4) + 3,5-di-tert-octylpyrocatechol (2563-16-8)

Guidance literature:

1-butyl-3-methylimidazolium heptachlorodiindate (III); at 90 - 110 ℃; for 2h; Product distribution / selectivity; In ionic liquid;

Reference yield:

benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) → 4-(tert-octyl)catechol (1139-46-4)

Guidance literature:

DOI:10.1021/ja01333a057

upstream raw materials:

2,4,4-trimethyl-1-pentene

benzene-1,2-diol

2-Amino-4-(1,1,3,3-tetramethyl-butyl)-phenol

sulfuric acid

Downstream raw materials:

4-(1,1,3,3-tetramethyl-butyl)-[1,2]benzoquinone

2-hydroxy-5-(1,1,3,3-tetramethyl-butyl)-[1,4]benzoquinone

1,2-diacetoxy-4-(1,1,3,3-tetramethyl-butyl)-benzene

3-(morpholin-4-ylmethyl)-5-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol