2-(3-Hydroxy-3-methylbutyl)phenol

Base Information

• Chemical Name: 2-(3-Hydroxy-3-methylbutyl)phenol
• CAS No.: 4167-73-1
• Molecular Formula: C11H16O2
• Molecular Weight: 180.247
• Hs Code.: 2907299090
• DSSTox Substance ID: DTXSID80381208
• Nikkaji Number: J998.036I
• Wikidata: Q82171892
• Mol file: 4167-73-1.mol

Synonyms:2-(3-hydroxy-3-methylbutyl)phenol;4167-73-1;2-(3-Hydroxy-3-methylbut-1-yl)phenol;SCHEMBL8940085;DTXSID80381208;HULLBXYBMZDZKL-UHFFFAOYSA-N;MFCD00096365;AKOS022172500;SB84239;4-(2-hydroxyphenyl)-2-methyl-2-butanol;AS-48683;CS-0216601;FT-0691223;EN300-52177;F52496;Z736756680

Chemical Property of 2-(3-Hydroxy-3-methylbutyl)phenol

Chemical Property:

• PSA: 40.46000
• LogP: 2.09570
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 180.115029749
• Heavy Atom Count: 13
• Complexity: 154

Purity/Quality:

98%min ^*data from raw suppliers

2-(3-Hydroxy-3-methylbut-1-yl)phenol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CCC1=CC=CC=C1O)O

Technology Process of 2-(3-Hydroxy-3-methylbutyl)phenol

There total 12 articles about 2-(3-Hydroxy-3-methylbutyl)phenol 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: 100.0%

methylmagnesium chloride (676-58-4) + C6H4(CH2CH2C(O)O) (119-84-6,1341-36-2) → 4-(2-hydroxyphenyl)-2-methyl-2-butanol (4167-73-1)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1016/j.ejmech.2013.02.012

Reference yield: 89.0%

methyl magnesium iodide (917-64-6) + C6H4(CH2CH2C(O)O) (119-84-6,1341-36-2) → 4-(2-hydroxyphenyl)-2-methyl-2-butanol (4167-73-1)

Guidance literature:

Reference yield: 89.0%

trimethylaluminum (75-24-1) + C6H4(CH2CH2C(O)O) (119-84-6,1341-36-2) → 4-(2-hydroxyphenyl)-2-methyl-2-butanol (4167-73-1)

Guidance literature:

In dichloromethane; at 20 ℃; for 12h;

DOI:10.1016/S0040-4039(02)01506-X

upstream raw materials:

methyl magnesium iodide

ethyl 3-(2-hydroxyphenyl)propanoate

C₆H₄(CH₂CH₂C(O)O)

isoprene

Downstream raw materials:

2,2-dimethylchroman

4-[[[8-bromo-2,2-dimethyl-4-(4-methylphenyl)-6-chromanyl]carbonyl]amino]benzoic acid

ethyl 4-[[[8-bromo-2,2-dimethyl-4-(4-methylphenyl)-6-chromanyl]carbonyl]amino]benzoate

C₂₄H₂₈F₂O₄