Benzamide, 4-methoxy-N-methyl-N-2-propynyl-

Base Information

• Chemical Name: Benzamide, 4-methoxy-N-methyl-N-2-propynyl-
• CAS No.: 200411-41-2
• Molecular Formula: C12H13NO2
• Molecular Weight: 203.241
• DSSTox Substance ID: DTXSID60456584
• Nikkaji Number: J899.288F
• Wikidata: Q82279140
• Mol file: 200411-41-2.mol

Synonyms:Benzamide, 4-methoxy-N-methyl-N-2-propynyl-;200411-41-2;SCHEMBL8384714;DTXSID60456584;AKOS020783733;N-Propargyl-N-methyl-4-methoxybenzamide

Chemical Property of Benzamide, 4-methoxy-N-methyl-N-2-propynyl-

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 203.094628657
• Heavy Atom Count: 15
• Complexity: 258

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzamide, 4-methoxy-N-methyl-N-2-propynyl-

There total 3 articles about Benzamide, 4-methoxy-N-methyl-N-2-propynyl- 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: 71.0%

methyl(propargyl)amine (35161-71-8) + 4-methoxy-benzoyl chloride (100-07-2) → 4-methoxy-N-methyl-N-(prop-2-yn-1-yl)benzamide (200411-41-2)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 0 - 20 ℃; for 3.5h; Inert atmosphere;

DOI:10.1002/chem.201301899

Reference yield: 68.0%

methyl(propargyl)amine (35161-71-8) + 4-methoxybenzoic acid (100-09-4) → 4-methoxy-N-methyl-N-(prop-2-yn-1-yl)benzamide (200411-41-2)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at 20 ℃;

DOI:10.1021/ol0489898

Reference yield:

4-methoxybenzoic acid prop-2-ynyl ester (101532-23-4) → 4-methoxy-N-methyl-N-(prop-2-yn-1-yl)benzamide (200411-41-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 88 percent / BBr₃ / CH₂Cl₂ / 0.25 h / 20 °C

2: 68 percent / DMAP; DCC / CH₂Cl₂ / 20 °C

With dmap; boron tribromide; dicyclohexyl-carbodiimide; In dichloromethane;

DOI:10.1021/ol0489898

upstream raw materials:

methyl(propargyl)amine

4-methoxybenzoic acid

4-methoxybenzoic acid prop-2-ynyl ester

4-methoxy-benzoyl chloride