4-(Acetylamino)phenyl alpha-methyl-4-(2-methylpropyl)benzeneacetate

Base Information

Chemical Name:4-(Acetylamino)phenyl alpha-methyl-4-(2-methylpropyl)benzeneacetate
CAS No.:58357-81-6
Molecular Formula:C₂₁H₂₅NO₃
Molecular Weight:339.434
Hs Code.:
DSSTox Substance ID:DTXSID901173778
Nikkaji Number:J999.606K

Synonyms:SCHEMBL1561080;DTXSID901173778;58357-81-6;4-(Acetylamino)phenyl alpha-methyl-4-(2-methylpropyl)benzeneacetate

Suppliers and Price of 4-(Acetylamino)phenyl alpha-methyl-4-(2-methylpropyl)benzeneacetate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 4-(Acetylamino)phenyl alpha-methyl-4-(2-methylpropyl)benzeneacetate

Chemical Property:

XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:339.18344366
Heavy Atom Count:25
Complexity:432

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)CC1=CC=C(C=C1)C(C)C(=O)OC2=CC=C(C=C2)NC(=O)C

Technology Process of 4-(Acetylamino)phenyl alpha-methyl-4-(2-methylpropyl)benzeneacetate

There total 4 articles about 4-(Acetylamino)phenyl alpha-methyl-4-(2-methylpropyl)benzeneacetate 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%

: 103-90-2,8055-08-1
4-acetaminophenol

: 71381-91-4,114978-05-1,115588-20-0,34715-60-1
(+/-)-2-(4-isobutylphenyl)propanoyl chloride

: 58357-81-6
4-(acetylamino)phenyl 2-(4-isobutylphenyl)propanoate

Guidance literature:: With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In chloroform; at 50 ℃;

Reference yield: 87.0%

: 15687-27-1,58560-75-1
ibuprofen

: 103-90-2,8055-08-1
4-acetaminophenol

: 58357-81-6
4-(acetylamino)phenyl 2-(4-isobutylphenyl)propanoate

Guidance literature:: ibuprofen; 4-acetaminophenol; With dmap; In chloroform; at 0 ℃; for 0.5h;

With dicyclohexyl-carbodiimide; In chloroform; at 20 ℃; for 30h;
DOI:10.1016/j.biopha.2018.02.122

Reference yield:

: 15687-27-1,58560-75-1
ibuprofen

: 58357-81-6
4-(acetylamino)phenyl 2-(4-isobutylphenyl)propanoate

Guidance literature:: Multi-step reaction with 2 steps

1: SOCl₂ / CHCl₃ / 3 h / Heating

2: 93 percent / 20percent aq. sodium hydroxide / Benzyltriethylammonium chloride / CHCl₃ / 50 °C

With sodium hydroxide; thionyl chloride; N-benzyl-N,N,N-triethylammonium chloride; In chloroform;