3,4-dimethoxy-N-methylbenzamide

Base Information

• Chemical Name: 3,4-dimethoxy-N-methylbenzamide
• CAS No.: 60028-86-6
• Molecular Formula: C10H13NO3
• Molecular Weight: 195.218
• DSSTox Substance ID: DTXSID60357300
• Wikidata: Q82137169
• ChEMBL ID: CHEMBL476663
• Mol file: 60028-86-6.mol

Synonyms:3,4-dimethoxy-N-methylbenzamide;60028-86-6;Benzamide, 3,4-dimethoxy-N-methyl-;CHEMBL476663;SCHEMBL4151619;DTXSID60357300;AKOS008932992;AP-065/11382331;Z32016676

Chemical Property of 3,4-dimethoxy-N-methylbenzamide

Chemical Property:

• PSA: 51.05000
• LogP: 1.63820
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 195.08954328
• Heavy Atom Count: 14
• Complexity: 196

Purity/Quality:

99% ^*data from raw suppliers

3,4-DIMETHOXY-N-METHYL-BENZAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3,4-dimethoxy-N-methylbenzamide

There total 10 articles about 3,4-dimethoxy-N-methylbenzamide 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: 92.0%

Methyl fluorosulfonate (421-20-5) + veratronitrile (2024-83-1) → 3,4-dimethoxy-N-methylbenzamide (60028-86-6)

Guidance literature:

at 20 ℃; for 70h;

Reference yield: 83.0%

methanol (67-56-1) + 3,4-Dimethoxy-benzaldehyde oxime (2169-98-4,39627-82-2) → 3,4-dimethoxy-N-methylbenzamide (60028-86-6)

Guidance literature:

With C₅₄H₄₃ClN₃P₂Ru⁽¹⁺⁾*F₆P^(1-); caesium carbonate; In toluene; at 140 ℃; for 24h; Inert atmosphere; Schlenk technique; Green chemistry;

DOI:10.1002/adsc.201900962

Reference yield: 75.0%

N-(4-(dimethylamino)benzyl)-3,4-dimethoxy-N-methylbenzamide (1326101-69-2) → 3,4-dimethoxy-N-methylbenzamide (60028-86-6)

Guidance literature:

With water; trifluoroacetic acid; In acetonitrile; at 80 ℃; for 2h; Sealed tube;

DOI:10.3987/COM-13-12747

upstream raw materials:

Veratric acid

methylamine

2-bromo-4,5-dimethoxy-N-methylbenzenemethanamine

acetone

Downstream raw materials:

2-bromo-4,5-dimethoxy-N-methylbenzenemethanamine

4,5-dimethoxy-2-(methylcarbamoyl)phenyl 2-naphthoate

4,5-dimethoxy-2-(methylcarbamoyl)phenyl 2-iodobenzoate

4,5-dimethoxy-2-(methylcarbamoyl)phenyl 3-chlorobenzoate

Refernces

• 1、 Maraswami, Manikantha,Pankajakshan, Sreekumar,Chen, Gang,Loh, Teck-Peng. "Palladium-Catalyzed Direct C-H Trifluoroethylation of Aromatic Amides". supporting information. p. 4223 - 4226. Retrieved 2017/08/23.
• 2、 Kong, Wangqing,Casimiro, Maria,Fuentes, Noelia,Merino, Estibaliz,Nevado, Cristina. "Metal-free aryltrifluoromethylation of activated alkenes". supporting information. p. 13086 - 13090. Retrieved 2014/01/06.