Methyl [4-(2-oxopropyl)phenyl]acetate

Base Information

• Chemical Name: Methyl [4-(2-oxopropyl)phenyl]acetate
• CAS No.: 84541-92-4
• Molecular Formula: C12H14O3
• Molecular Weight: 206.241
• DSSTox Substance ID: DTXSID10543650
• Wikidata: Q82420588

Synonyms:84541-92-4;Methyl [4-(2-oxopropyl)phenyl]acetate;methyl 2-[4-(2-oxopropyl)phenyl]acetate;Benzeneacetic acid, 4-(2-oxopropyl)-, methyl ester;SCHEMBL4613929;DTXSID10543650;NHDJXQMPAGRCRZ-UHFFFAOYSA-N;methyl 4-(2-oxopropyl)phenylacetate

Chemical Property of Methyl [4-(2-oxopropyl)phenyl]acetate

Chemical Property:

• PSA: 43.37000
• LogP: 1.53360
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 206.094294304
• Heavy Atom Count: 15
• Complexity: 227

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC1=CC=C(C=C1)CC(=O)OC

Technology Process of Methyl [4-(2-oxopropyl)phenyl]acetate

There total 5 articles about Methyl [4-(2-oxopropyl)phenyl]acetate 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: 98.0%

Isopropenyl acetate (108-22-5) + (4-bromo-phenyl)-acetic acid methyl ester (41841-16-1) → methyl [4-(2-oxopropyl)phenyl]acetate (84541-92-4)

Guidance literature:

Isopropenyl acetate; (4-bromo-phenyl)-acetic acid methyl ester; With tributyltin methoxide; palladium diacetate; tris-(o-tolyl)phosphine; In toluene; at 100 ℃; for 7h; Inert atmosphere;

With potassium fluoride; water; In toluene; for 1.5h;

DOI:10.1021/op1001462

Reference yield: 95.0%

methyl 4-(1-methylthio-2-oxopropyl)phenylacetate (105077-08-5) → methyl [4-(2-oxopropyl)phenyl]acetate (84541-92-4)

Guidance literature:

With acetic acid; zinc; at 100 - 110 ℃; for 1h;

Reference yield: 84.0%

→ methyl [4-(2-oxopropyl)phenyl]acetate (84541-92-4)

Guidance literature:

upstream raw materials:

methyl 4-(1-methylthio-2-oxopropyl)phenylacetate

benzeneacetic acid methyl ester

(4-chloro-phenyl)-acetic acid methyl ester

acetone

Downstream raw materials:

2-[4-(2-{[(2R)-2-(6-chloropyridin-3-yl)-2-hydroxyethyl]amino}-2-methylpropyl)phenyl]-N-(5-methylisoxazol-3-yl)acetamide

2-[4-(2-amino-2-methylpropyl)phenyl]-N-(5-methylisoxazol-3-yl)acetamide

2-chloro-N-[1,1-dimethyl-2-(4-{2-[(5-methylisoxazol-3-yl)amino]-2-oxoethyl}phenyl)ethyl]acetamide

2-[4-(2-hydroxy-2-methylpropyl)phenyl]-N-(5-methylisoxazol-3-yl)acetamide

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