Phenol, 2,6-bis[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methyl-

Base Information

• Chemical Name: Phenol, 2,6-bis[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methyl-
• CAS No.: 90-68-6
• Molecular Formula: C31H40 O3
• Molecular Weight: 460.657
• European Community (EC) Number: 202-011-8
• NSC Number: 67516,62914
• UNII: K720MI5DT8
• DSSTox Substance ID: DTXSID2059013
• Nikkaji Number: J182.072I
• Wikidata: Q81988641
• ChEMBL ID: CHEMBL1481029
• Mol file: 90-68-6.mol

Synonyms:2-tert-butyl-6-((3-((3-tert-butyl-2-hydroxy-5-methylphenyl)methyl)-2-hydroxy-5-methylphenyl)methyl)-4-methylphenol;NSC 62914

Chemical Property of Phenol, 2,6-bis[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methyl-

Chemical Property:

• Vapor Pressure: 3.06E-13mmHg at 25°C
• Boiling Point: 562.1°C at 760 mmHg
• Flash Point: 229.7°C
• PSA: 60.69000
• Density: 1.082g/cm³
• LogP: 7.50520
• XLogP3: 9.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 460.29774513
• Heavy Atom Count: 34
• Complexity: 592

Purity/Quality:

96% 1H NMR ^*data from raw suppliers

2,6-BIS(3-TERT-BUTYL-2-HYDROXY-5-METHYLBENZYL)-4-METHYLPHENOL Aldrich ^*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: CC1=CC(=C(C(=C1)CC2=C(C(=CC(=C2)C)C(C)(C)C)O)O)CC3=C(C(=CC(=C3)C)C(C)(C)C)O

Technology Process of Phenol, 2,6-bis[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methyl-

There total 2 articles about Phenol, 2,6-bis[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methyl- 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: 86.0%

2,6-bis(hydroxymethyl)-4-methylphenol (91-04-3) + 2-tert-Butyl-4-methylphenol (2409-55-4) → 2,6-bis[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methyl-phenol (90-68-6)

Guidance literature:

With sulfonated multi-walled carbon nanotubes; In neat (no solvent); at 110 ℃; for 0.5h; Catalytic behavior;

DOI:10.1039/c5nj03136b

Reference yield:

→ 2,6-bis[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methyl-phenol (90-68-6)

Guidance literature:

entspr. Phenole, Kondensation;

Reference yield: 98.0%

2,6-bis[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methyl-phenol (90-68-6) + methyl p-toluene sulfonate (80-48-8) → 2,6-bis(3-tert-butyl-5-methyl-2-hydroxybenzyl)-4-methyl-anisole (6079-81-8)

Guidance literature:

With potassium carbonate; In acetonitrile; Heating;

DOI:10.1021/ja0567079

upstream raw materials:

2,6-bis(hydroxymethyl)-4-methylphenol

2-tert-Butyl-4-methylphenol

Downstream raw materials:

2,6-bis(2-hydroxy-5-methylbenzyl)-4-methylphenol

2,2'-dihydroxy-3-tert-butyl-3'-(2-hydroxy-5-methylbenzyl)-5,5'-dimethyldiphenylmethane

8-tert-butyl-6-diethylamino-4-(2-hydroxy-3-tert-butyl-5-methylbenzyl)-2,10-dimethyldibenzo<1,3,2>-dioxaphosphacane

2,6-bis(3-tert-butyl-5-methyl-2-hydroxybenzyl)-4-methyl-anisole

Refernces

• 1、 -. "4-Formyl amino-n-methylpiperidine derivatives, the use thereof as stabilisers and organic material stabilised therewith". . . Retrieved 2008/06/13.
• 2、 Sartori, Giovanni,Bigi, Franca,Maggi, Raimondo,Porta, Cecilia. "Metal-template ortho-regioselective mono- and bis-de-tert-butylation of poly-tert-butylated phenols". . p. 7073 - 7076. Retrieved 2007/10/02.