2-Butanone, 4-hydroxy-4-(4-methoxyphenyl)-

Base Information

• Chemical Name: 2-Butanone, 4-hydroxy-4-(4-methoxyphenyl)-
• CAS No.: 94129-12-1
• Molecular Formula: C11H14O3
• Molecular Weight: 194.23
• DSSTox Substance ID: DTXSID30469803
• Nikkaji Number: J1.680.043K
• Mol file: 94129-12-1.mol

Synonyms:2-Butanone, 4-hydroxy-4-(4-methoxyphenyl)-;94129-12-1;4-hydroxy-4-(4-methoxyphenyl)butan-2-one;DTXSID30469803

Chemical Property of 2-Butanone, 4-hydroxy-4-(4-methoxyphenyl)-

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 183

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Butanone, 4-hydroxy-4-(4-methoxyphenyl)-

There total 11 articles about 2-Butanone, 4-hydroxy-4-(4-methoxyphenyl)- 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: 93.0%

4-methoxy-benzaldehyde (123-11-5) + acetone (67-64-1) → 4-hydroxy-4-(4-methoxyphenyl)butan-2-one (94129-12-1)

Guidance literature:

With Zn:Al-layered double hydroxide-supported N-methyl-3-aminopropyltriethoxysilane; at 20 ℃; for 0.75h;

DOI:10.1039/c1nj20492k

Reference yield: 85.0%

Isopropenyl acetate (108-22-5) + 4-methoxy-benzaldehyde (123-11-5) → 4-hydroxy-4-(4-methoxyphenyl)butan-2-one (94129-12-1)

Guidance literature:

With novozym435 lipase; triethylamine; In isopropyl alcohol; at 20 ℃; for 72h; Enzymatic reaction;

DOI:10.1002/adsc.201000980

Reference yield: 82.0%

4-(4-methoxyphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-one → 4-hydroxy-4-(4-methoxyphenyl)butan-2-one (94129-12-1)

Guidance literature:

With sodium perborate tetrahydrate; at 20 ℃; for 4h;

upstream raw materials:

4-methoxy-benzaldehyde

acetone

4-(p-methoxyphenyl)-3-butene-2-one

4-Hydroxy-4-methyl-2-pentanone

Downstream raw materials:

4-(4-methoxyphenyl)-3-buten-2-one

4-(4-methoxybenzyloxy)-4-(4-methoxyphenyl)butan-2-one

4-(tert-butyldimethylsilyloxy)-4-(4-methoxyphenyl)butan-2-one

(1R,3S)-1-(4-methoxyphenyl)butane-1,3-diol