2,4-Diisopropyl-5-methylphenol

Base Information

• Chemical Name: 2,4-Diisopropyl-5-methylphenol
• CAS No.: 40625-96-5
• Molecular Formula: C13H20O
• Molecular Weight: 192.301
• UNII: 319EQ0TMXT
• DSSTox Substance ID: DTXSID00335905
• Nikkaji Number: J31.028J
• Wikidata: Q27256033
• Metabolomics Workbench ID: 44073
• Mol file: 40625-96-5.mol

Synonyms:2,4-Diisopropyl-5-methylphenol;40625-96-5;4,6-Diisopropyl-m-cresol;5-Methyl-2,4-diisopropylphenol;Phenol, 5-methyl-2,4-bis(1-methylethyl)-;5-methyl-2,4-di(propan-2-yl)phenol;m-Cresol, 4,6-diisopropyl-;UNII-319EQ0TMXT;319EQ0TMXT;Phenol, 5-methyl-2,4-diisopropyl;2,4,5-Trimethyl-Phenol;SCHEMBL1245089;DTXSID00335905;CHEBI:169631;2,4-Diisopropyl-5-methylphenol #;5-methyl-2,4-bis(propan-2-yl)phenol;2,4-bis(1-methylethyl)-5-methylphenol;5-Methyl-2,4-bis(1-methylethyl)phenol, 9CI;Q27256033

Chemical Property of 2,4-Diisopropyl-5-methylphenol

Chemical Property:

• PSA: 20.23000
• LogP: 3.94740
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 192.151415257
• Heavy Atom Count: 14
• Complexity: 174

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1C(C)C)C(C)C)O

Technology Process of 2,4-Diisopropyl-5-methylphenol

There total 12 articles about 2,4-Diisopropyl-5-methylphenol 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: 32.0%

3-methyl-phenol (108-39-4) + isopropyl alcohol (67-63-0,8013-70-5) → thymol (89-83-8) + 5-methyl-2,4-diisopropylphenol (40625-96-5)

Guidance literature:

With carbon tetrabromide; at 220 - 250 ℃; for 6h; Sealed tube;

DOI:10.1134/S1070363219080024

Reference yield:

ethanol (64-17-5) + 2-methoxy-phenol (90-05-1) → o-Hydroxyethylbenzene (90-00-6) + 2,6-di-tert-butylphenol (128-39-2) + 3-ethylphenol (620-17-7) + 2,4-diisopropylphenol (2934-05-6) + 2,6-diisopropylphenol (2078-54-8) + 2,6-di-tert-butyl-4-ethylphenol (4130-42-1) + 1,4-diethylbenzene (105-05-5) + 3,5-diethylphenol (1197-34-8) + 2,5-di-tert-butylphenol (5875-45-6) + 1,3,5-triethylbenzene (102-25-0) + 4-Ethylguaiacol (2785-89-9) + 2,5-diethyl phenol (876-20-0) + 5-methyl-2,4-diisopropylphenol (40625-96-5) + 1-(2,4,5-triethylphenyl)ethanone (2715-54-0) + 1-ethyl-3-tert-butyl-5-methyl-benzene (6630-01-9) + methoxybenzene (100-66-3) + phenol (108-95-2,27073-41-2)

Guidance literature:

With perrhenic acid anhydride; at 320 ℃; for 6h; Inert atmosphere; Sealed tube;

DOI:10.1016/j.cattod.2019.07.018

Reference yield:

propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + 3-methyl-phenol (108-39-4) → 3-Methyl-4-isopropylphenol (3228-02-2) + thymol (89-83-8) + 5-methyl-2,4-diisopropylphenol (40625-96-5) + 3-methyl-2,6-diisopropylphenol (28434-93-7)

Guidance literature:

1-butyl-3-methylimidazolium heptachlorodiindate (III); at 100 ℃; for 1.5h; Product distribution / selectivity; In ionic liquid;

upstream raw materials:

1-isopropoxy-3-methylbenzene

4-methyl-1-(propan-2-yl)-2-(propan-2-yloxy)benzene

2-Isopropyl-4-hydroxyisopropyl-5-methylphenol

boron trifluoride

Refernces

• 1、 Bayguzina,Makhiyanova,Khazipova,Khusnutdinov. "Alkylation of Phenols with tert-Butanol Catalyzed by H-Form of Y Zeolites with a Hierarchical Porous Structure". . p. 1554 - 1559. Retrieved 2019/10/14.
• 2、 Gunaratne, H. Q. Nimal,Lotz, Tobias J.,Seddon, Kenneth R.. "Chloroindate(iii) ionic liquids as catalysts for alkylation of phenols and catechol with alkenes". scheme or table. p. 1821 - 1824. Retrieved 2011/01/07.