2,5-Di-tert-butyl-4-methoxyphenol

Base Information

• Chemical Name: 2,5-Di-tert-butyl-4-methoxyphenol
• CAS No.: 1991-52-2
• Molecular Formula: C15H24O2
• Molecular Weight: 236.354
• Hs Code.: 2909500000
• European Community (EC) Number: 217-873-0
• UNII: 593E9T2MWH
• DSSTox Substance ID: DTXSID50173692
• Nikkaji Number: J27.323F
• Wikidata: Q27165883
• ChEMBL ID: CHEMBL1600347
• Mol file: 1991-52-2.mol

Synonyms:2,5-DBHA;2,5-di-tert-butyl-4-hydroxyanisole

Chemical Property of 2,5-Di-tert-butyl-4-methoxyphenol

Chemical Property:

• Vapor Pressure: 5.25E-05mmHg at 25°C
• Melting Point: 99-102 °C(lit.)
• Refractive Index: 1.495
• Boiling Point: 337.8 °C at 760 mmHg
• PKA: 11.97±0.23(Predicted)
• Flash Point: 129.2 °C
• PSA: 29.46000
• Density: 0.963 g/cm³
• LogP: 3.99580
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 236.177630004
• Heavy Atom Count: 17
• Complexity: 247

Purity/Quality:

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

2,5-Di-tert-butyl-4-methoxyphenol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=C(C=C1OC)C(C)(C)C)O
• Uses: 2,5-Di-tert-butyl-4-methoxyphenol is used as a non-tumorigenic compound in contrast to DBHQ.

Technology Process of 2,5-Di-tert-butyl-4-methoxyphenol

There total 11 articles about 2,5-Di-tert-butyl-4-methoxyphenol 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:

4-methoxy-phenol (150-76-5) → 2,5-di-tert-butyl-4-methoxyphenol (1991-52-2) + 2,6-Di-t-butyl-4-methoxyphenol (489-01-0)

Guidance literature:

With sulfuric acid; Petroleum ether; at 50 ℃; Einleiten von 2-Methyl-propen;

DOI:10.1021/ja01180a065 DOI:10.1021/ja01611a079 DOI:10.1139/v60-152

Reference yield:

tertiary butyl chloride (507-20-0) + 4-methoxy-phenol (150-76-5) → 2,5-di-tert-butyl-4-methoxyphenol (1991-52-2) + 2,6-Di-t-butyl-4-methoxyphenol (489-01-0)

Guidance literature:

natural kaolinitic clay; for 0.166667h; Title compound not separated from byproducts; Heating;

DOI:10.1016/S0022-1139(99)00217-1

Reference yield:

sulfuric acid (7664-93-9) + 4-methoxy-phenol (150-76-5) + isobutene (115-11-7,15220-85-6) → 2,5-di-tert-butyl-4-methoxyphenol (1991-52-2) + 2,6-Di-t-butyl-4-methoxyphenol (489-01-0)

Guidance literature:

at 50 - 60 ℃;

DOI:10.1021/ja01180a065 DOI:10.1021/ja01611a079 DOI:10.1139/v60-152

upstream raw materials:

4-methoxy-phenol

tert-butyl alcohol

2,6-Di-t-butyl-4-methoxyphenol

tertiary butyl chloride

Downstream raw materials:

4-tert-butoxy-2,6-di-tert-butyl-4-(2,5-di-tert-butyl-4-methoxy-phenoxy)-cyclohexa-2,5-dienone

2-tert-butoxy-4,6-di-tert-butyl-4-(2,5-di-tert-butyl-4-methoxy-phenoxy)-cyclohexa-2,5-dienone

3-tert-butyl-4-methoxyphenol

3-tert-Butyl-4-hydroxyanisole

Refernces

• 1、 Ingold. "-". . p. 1092,1093. Retrieved 1960.
• 2、 Bandgar,Kasture,Dudhmal, Chaya. "Efficient synthesis of 2,5-di-t-butyl-4-fluorophenol". . p. 81 - 83. Retrieved 2007/10/03.
• 3、 -. "Preparation of aralkyl phenyl ethers and alkyl phenyl ethers". . . Retrieved 2008/06/13.