4-(Hydroxymethyl)phenyl 2-methylpropanoate

Base Information

• Chemical Name: 4-(Hydroxymethyl)phenyl 2-methylpropanoate
• CAS No.: 70362-64-0
• Molecular Formula: C11H14O3
• Molecular Weight: 194.23
• DSSTox Substance ID: DTXSID70695346
• Wikidata: Q82624499
• Mol file: 70362-64-0.mol

Synonyms:70362-64-0;4-(Hydroxymethyl)phenyl 2-methylpropanoate;[4-(hydroxymethyl)phenyl] 2-methylpropanoate;SCHEMBL11295876;DTXSID70695346;AKOS006316914

Chemical Property of 4-(Hydroxymethyl)phenyl 2-methylpropanoate

Chemical Property:

• PSA: 46.53000
• LogP: 1.74030
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 181

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

4-(Hydroxymethyl)phenylisobutyrate 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=O)OC1=CC=C(C=C1)CO

Technology Process of 4-(Hydroxymethyl)phenyl 2-methylpropanoate

There total 9 articles about 4-(Hydroxymethyl)phenyl 2-methylpropanoate 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: 83.0%

4-formylphenyl isobutyrate (120464-79-1) → 4-(hydroxymethyl)phenyl isobutyrate (70362-64-0)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1016/j.bmc.2011.09.019

Reference yield: 79.0%

C17H28O3Si (1352347-92-2) → 4-(hydroxymethyl)phenyl isobutyrate (70362-64-0)

Guidance literature:

C₁₇H₂₈O₃Si; With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 0 ℃; for 1h;

With acetic acid; In tetrahydrofuran;

Reference yield: 77.0%

(4-hydroxyphenyl)methanol (623-05-2) + isobutyryl chloride (79-30-1) → 4-(hydroxymethyl)phenyl isobutyrate (70362-64-0)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 ℃; for 2h; Inert atmosphere;

DOI:10.1002/anie.200803100

upstream raw materials:

4-trimethylsilyloxymethylphenol

isobutyryl chloride

4-((tert-butyldimethylsilyloxy)methyl)phenol

(4-hydroxyphenyl)methanol

Downstream raw materials:

Bis(4-isobutyryloxybenzyl) N,N-diisopropylphosphoramidite

4-(isopropylcarbonyl-oxy)benzyl iodide

4-((((3-nitropyridin-4-yl)carbamoyl)oxy)methyl)phenyl isobutyrate

C₃₁H₂₆O₅