3-(4-Methoxyphenyl)propanamide

Base Information

• Chemical Name: 3-(4-Methoxyphenyl)propanamide
• CAS No.: 25413-27-8
• Molecular Formula: C10H13NO2
• Molecular Weight: 179.219
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID10351333
• Wikidata: Q82127669
• Mol file: 25413-27-8.mol

Synonyms:3-(4-methoxyphenyl)propanamide;25413-27-8;Benzenepropanamide,4-methoxy-;p-methoxylbenzyl-acetamide;Oprea1_556414;SCHEMBL1413843;DTXSID10351333;KJTPQBNWEZJJBI-UHFFFAOYSA-N;STK227513;AKOS003362465;3-(4-methoxyphenyl)propionic acid amide;FT-0731076;EN300-79091;Z33545386

Chemical Property of 3-(4-Methoxyphenyl)propanamide

Chemical Property:

• Melting Point: 123-125 °C
• Boiling Point: 380.5 °C at 760 mmHg
• PKA: 16.51±0.40(Predicted)
• Flash Point: 210.2 °C
• PSA: 52.32000
• Density: 1.095 g/cm³
• LogP: 1.81340
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

99% ^*data from raw suppliers

3-(4-Methoxyphenyl)propionamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CCC(=O)N

Technology Process of 3-(4-Methoxyphenyl)propanamide

There total 19 articles about 3-(4-Methoxyphenyl)propanamide 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: 96.0%

4-methoxycinnamic acid amide (36650-51-8,18166-63-7) → 3-(4-methoxy-phenyl)propionamide (25413-27-8)

Guidance literature:

With hydrogen; In ethanol; at 20 ℃; for 2h; under 760.051 Torr; chemoselective reaction;

DOI:10.1002/adsc.201100569

Reference yield: 94.0%

acetamide (60-35-5) + 4-Methoxybenzyl alcohol (105-13-5) → 3-(4-methoxy-phenyl)propionamide (25413-27-8)

Guidance literature:

With tri-tert-butyl phosphine; potassium tert-butylate; nickel diacetate; In 1,4-dioxane; toluene; at 80 ℃; for 12h; Inert atmosphere; Glovebox; Schlenk technique;

DOI:10.1039/d0cc06468h

Reference yield: 91.0%

3-(4-methoxyphenyl)propanoic acid (1929-29-9) → 3-(4-methoxy-phenyl)propionamide (25413-27-8)

Guidance literature:

With magnesium(II) nitrate hexahydrate; urea; In octane; at 120 ℃; for 24h; Reagent/catalyst;

DOI:10.1039/d0sc01317j

upstream raw materials:

5-(4-methoxybenzylidene)-2-thioxo-4-thiazolidinone

3-(4-methoxyphenyl)propanoic acid

methyl 3-(4-methoxyphenyl)propionate

3-(4-methoxyphenyl)propionyl chloride

Downstream raw materials:

4-Methoxyphenethylamine

2-4-methoxyphenylethylcarbamic acid methyl ester

N-[1-(1H-1,2,3-benzotriazol-1-yl)-2,2-dimethylpropyl]-3-(4-methoxyphenyl)propanamide

2'-hydroxy-4,4',6'-trimethoxydihydrochalcone

Refernces

• 1、 Cariou, Kevin,Habert, Lo?c. "Photoinduced Aerobic Iodoarene-Catalyzed Spirocyclization of N-Oxy-amides to N-Fused Spirolactams**". . p. 171 - 175. Retrieved 2020/10/27.
• 2、 Blacker, A. John,Chhatwal, A. Rosie,Lomax, Helen V.,Marcé, Patricia,Williams, Jonathan M. J.. "Direct synthesis of amides from nonactivated carboxylic acids using urea as nitrogen source and Mg(NO3)2or imidazole as catalysts". . p. 5808 - 5818. Retrieved 2020/06/21.