4-(2-Hydroxypropan-2-yl)benzaldehyde

Base Information

• Chemical Name: 4-(2-Hydroxypropan-2-yl)benzaldehyde
• CAS No.: 81036-81-9
• Molecular Formula: C10H12O2
• Molecular Weight: 164.204
• European Community (EC) Number: 835-980-6
• Nikkaji Number: J1.972.959A
• Mol file: 81036-81-9.mol

Synonyms:4-(2-hydroxypropan-2-yl)benzaldehyde;81036-81-9;4-(1-Hydroxy-1-methylethyl)benzaldehyde;SCHEMBL1249265;4-(2-hydroxy-2-propyl)benzaldehyde;MFCD24674074;EN300-211648;Z1511747837

Chemical Property of 4-(2-Hydroxypropan-2-yl)benzaldehyde

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(2-Hydroxypropan-2-yl)benzaldehyde

There total 12 articles about 4-(2-Hydroxypropan-2-yl)benzaldehyde 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: 94.0%

4-(2-hydroxy-2-propyl)benzaldehyde dimethyl acetal (142581-73-5) → 4-(2-hydroxy-2-propyl)benzene-1-carbaldehyde (81036-81-9)

Guidance literature:

With sulfuric acid; In tetrahydrofuran; for 3h; Ambient temperature;

DOI:10.1021/jo00043a043

Reference yield: 86.0%

p-formylacetophenone (3457-45-2) + methyllithium (917-54-4) → 4-(2-hydroxy-2-propyl)benzene-1-carbaldehyde (81036-81-9)

Guidance literature:

p-formylacetophenone; With n-butyllithium; trimethylaluminum; N,O-dimethylhydroxylamine*hydrochloride; In tetrahydrofuran; hexane; at 0 - 20 ℃; for 2h;

methyllithium; In tetrahydrofuran; diethyl ether; hexane; at -78 ℃; for 0.666667h;

DOI:10.1021/ol401265a

Reference yield: 86.0%

p-formylacetophenone (3457-45-2) + methylmagnesium bromide (75-16-1) → 4-(2-hydroxy-2-propyl)benzene-1-carbaldehyde (81036-81-9)

Guidance literature:

p-formylacetophenone; With N,O-dimethylhydroxylamine*hydrochloride; diisobutylaluminium hydride;

methylmagnesium bromide; With isopropylmagnesium chloride;

With water; chemoselective reaction;

DOI:10.1055/s-0034-1379635

upstream raw materials:

4-methylisopropylbenzene

4-(2-hydroxy-2-propyl)benzaldehyde dimethyl acetal

p-benzoquinone

methylmagnesium chloride

Downstream raw materials:

4-(2-hydroxy-2-propyl)benzaldehyde tert-butylimine

5-amino-2-[4-(1-hydroxy-1-methylethyl)phenyl]-1,3-thiazole-4-carboxamide

Trifluoro-acetic acid 1-{4-[(Z)-tert-butylimino-methyl]-phenyl}-1-methyl-ethyl ester