3-(1,1-Dimethylethyl)-2-hydroxy-beta,beta,5-trimethylbenzeneethanol

Base Information

• Chemical Name: 3-(1,1-Dimethylethyl)-2-hydroxy-beta,beta,5-trimethylbenzeneethanol
• CAS No.: 112700-14-8
• Molecular Formula: C15H24 O2
• Molecular Weight: 236.354
• UNII: 7B7Y8CEM7E
• DSSTox Substance ID: DTXSID50150145
• Nikkaji Number: J391.093H
• Wikidata: Q27268013
• Mol file: 112700-14-8.mol

Synonyms:112700-14-8;UNII-7B7Y8CEM7E;3-(1,1-Dimethylethyl)-2-hydroxy-beta,beta,5-trimethylbenzeneethanol;7B7Y8CEM7E;3-(1,1-Dimethylethyl)-2-hydroxy-beta,beta,5- trimethylbenzeneethanol;2-tert-butyl-6-(1-hydroxy-2-methylpropan-2-yl)-4-methylphenol;Benzeneethanol, 3-(1,1-dimethylethyl)-2-hydroxy-beta,beta,5-trimethyl-;DTXSID50150145;EN300-7429875;Q27268013;3-TERT-BUTYL-2-HYDROXY-BETA,BETA,5-TRIMETHYLBENZENEETHANOL;BENZENEETHANOL, 3-(1,1-DIMETHYLETHYL)-2-HYDROXY-.BETA.,.BETA.,5-TRIMETHYL-;PHENETHYL ALCOHOL, 3-TERT-BUTYL-2-HYDROXY-.BETA.,.BETA. 5-TRIMETHYL-

Chemical Property of 3-(1,1-Dimethylethyl)-2-hydroxy-beta,beta,5-trimethylbenzeneethanol

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 236.177630004
• Heavy Atom Count: 17
• Complexity: 252

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(1,1-Dimethylethyl)-2-hydroxy-beta,beta,5-trimethylbenzeneethanol

There total 2 articles about 3-(1,1-Dimethylethyl)-2-hydroxy-beta,beta,5-trimethylbenzeneethanol 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: 95.0%

7-tert-butyl-3,3,5-trimethyl-3H-benzofuran-2-one (499774-39-9) → 6-tert-butyl-2-(2'-hydroxy-1',1'-dimethylethyl)-4-methylphenol (112700-14-8)

Guidance literature:

With methanol; sodium tetrahydroborate; In 1,2-dimethoxyethane; at 23 - 75 ℃;

DOI:10.1021/jo020587v

Reference yield:

→ 6-tert-butyl-2-(2'-hydroxy-1',1'-dimethylethyl)-4-methylphenol (112700-14-8)

Guidance literature:

<β-<(3-tert.-Butyl-2-hydroxy-5-methyl-phenyl)-β,β-dimethyl-aethyl>-2,3,4-tri-O-acetyl-β-D-glucopyranosid>-uronsaeuremethylester, sd. methanol. wss. HCl;

Reference yield: 72.0%

6-tert-butyl-2-(2'-hydroxy-1',1'-dimethylethyl)-4-methylphenol (112700-14-8) → 3-tert-butyl-4-hydroxy-5-(2-hydroxy-1,1-dimethylethyl)-benzaldehyde (112700-10-4)

Guidance literature:

With hydrogen bromide; dimethyl sulfoxide; In water; at 100 ℃; for 1h;

DOI:10.1021/jo020587v

upstream raw materials:

7-tert-butyl-3,3,5-trimethyl-3H-benzofuran-2-one

Downstream raw materials:

6-tert-butyl-2-(2'-hydroxy-1',1'-dimethylethyl)-4-methylene-2,5-cyclohexadienone

3-tert-butyl-4-hydroxy-5-(2-hydroxy-1,1-dimethylethyl)-benzaldehyde

3-tert-butyl-5-[1,1-dimethyl-2-(tetrahydropyran-2-yloxy)ethyl]-4-hydroxybenzaldehyde

(E)-5-[3-tert-butyl-4-hydroxy-5-(2-hydroxy-1,1-dimethyl-ethyl)]-benzylidene-2-ethyl-1,2-isothiazolidine-1,1-dioxide