Methyl 4-propionylbenzoate

Base Information

• Chemical Name: Methyl 4-propionylbenzoate
• CAS No.: 17745-40-3
• Molecular Formula: C11H12O3
• Molecular Weight: 192.214
• European Community (EC) Number: 881-784-9
• ChEMBL ID: CHEMBL4530129
• Nikkaji Number: J3.049.994H
• Mol file: 17745-40-3.mol

Synonyms:methyl 4-propionylbenzoate;17745-40-3;Methyl 4-propanoylbenzoate;Benzoic acid, 4-(1-oxopropyl)-, methyl ester;methyl4-propionylbenzoate;Methyl 4-(propionyl)benzoate;SCHEMBL988147;CHEMBL4530129;HJFQWZCJVDZOOO-UHFFFAOYSA-N;4-propanoylbenzoic acid methyl ester;MFCD13192729;4-propanoyl-benzoic acid methyl ester;4-Propionyl-benzoic acid methyl ester;AKOS016053046;BS-21830;CS-0210718;EN300-105998;G37282;Z1255388533

Chemical Property of Methyl 4-propionylbenzoate

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 192.078644241
• Heavy Atom Count: 14
• Complexity: 215

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Methyl 4-propionylbenzoate

There total 23 articles about Methyl 4-propionylbenzoate 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: 99.0%

1--2-propanol (96056-29-0) → methyl p-propanoylbenzoate (17745-40-3)

Guidance literature:

With jones reagent; In acetone; at 0 ℃; for 0.25h;

DOI:10.1021/jo00211a019

Reference yield: 96.0%

ethylmagnesium bromide (925-90-6) + N-cyclohexyl-4-(methoxycarbonyl)benzamide (245679-66-7) → methyl p-propanoylbenzoate (17745-40-3)

Guidance literature:

N-cyclohexyl-4-(methoxycarbonyl)benzamide; With 2-fluoropyridine; trifluoromethylsulfonic anhydride; In dichloromethane; at -78 - 0 ℃; Inert atmosphere;

ethylmagnesium bromide; In dichloromethane; at -78 ℃; for 0.416667h; Inert atmosphere;

With hydrogenchloride; water; In tetrahydrofuran; dichloromethane; at 65 ℃; for 2h; chemoselective reaction; Inert atmosphere;

DOI:10.1038/nchem.1268

Reference yield: 92.0%

methanol (67-56-1) + carbon monoxide (201230-82-2) + 4-propionylphenol trifluoromethanesulfonate (87241-55-2) → methyl p-propanoylbenzoate (17745-40-3)

Guidance literature:

With palladium diacetate; 1,3-bis-(diphenylphosphino)propane; triethylamine; In N,N-dimethyl-formamide; at 70 ℃; for 4h;

DOI:10.1021/jm010575m

upstream raw materials:

methanol

carbon monoxide

4-propionylphenol trifluoromethanesulfonate

4-propionylbenzoic acid

Downstream raw materials:

methyl 4-<2-(2,4-diamino-6-pteridinyl)-1-ethylethenyl>benzoate

methyl 4-(2-bromopropanoyl)benzoate

4-Bromo-1-butanol

Methyl 4-[[2-(2,4-Diamino-5-methylpyrido[2,3-d]-pyrimidin-6-yl)-1-ethyl]ethenyl]benzoate