N-(5-chloro-2,4-dimethoxyphenyl)nicotinamide

Base Information

• Chemical Name: N-(5-chloro-2,4-dimethoxyphenyl)nicotinamide
• CAS No.: 5523-99-9
• Molecular Formula: C₁₂H₂₀O
• Molecular Weight: 180.29
• DSSTox Substance ID: DTXSID60970558
• Wikidata: Q82953772
• Mol file: 5523-99-9.mol

Synonyms:N-(5-chloro-2,4-dimethoxyphenyl)nicotinamide;n-(5-chloro-2,4-dimethoxyphenyl)pyridine-3-carboxamide;5523-99-9;Cambridge id 5523999;Oprea1_224306;DTXSID60970558;STL175502;AKOS001296585;AB00087274-01;AK-968/13026007;Z29679149;N-(5-Chloro-2,4-dimethoxyphenyl)pyridine-3-carboximidic acid

Chemical Property of N-(5-chloro-2,4-dimethoxyphenyl)nicotinamide

Chemical Property:

• Vapor Pressure: 1.08E-05mmHg at 25°C
• Boiling Point: 370.7°Cat760mmHg
• Flash Point: 178°C
• Density: 1.321g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 292.0614700
• Heavy Atom Count: 20
• Complexity: 330

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1NC(=O)C2=CN=CC=C2)Cl)OC

Technology Process of N-(5-chloro-2,4-dimethoxyphenyl)nicotinamide

There total 10 articles about N-(5-chloro-2,4-dimethoxyphenyl)nicotinamide 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: 85.0%

4a-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one (826-56-2) → cis-9,10-dimethyl-2-decalone (5523-99-9,40447-78-7,54100-35-5,77644-38-3)

Guidance literature:

With chloro-trimethyl-silane; lithium dimethylcuprate; In diethyl ether; at -30 ℃;

DOI:10.1016/0040-4020(89)80079-1

Reference yield:

trans-decalin (28831-72-3) → (4aR,8aS)-4a,8a-Dimethyl-octahydro-naphthalen-1-one (16887-42-6,28697-40-7,54099-94-4) + trans-9,10-Dimethyl-decal-2-on (5523-99-9,40447-78-7,54100-35-5,77644-38-3)

Guidance literature:

With hydrogenchloride; FeH₆Mo₆O₂₄^(3-)*3H₃N*3H⁽¹⁺⁾*7H₂O; tetrabutylammomium bromide; dihydrogen peroxide; In 1,4-dioxane; water; at 85 ℃; for 24h;

DOI:10.1039/c9cc03939b

Reference yield:

methyl magnesium iodide (917-64-6) + 4a-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one (826-56-2) → cis-9,10-dimethyl-2-decalone (5523-99-9,40447-78-7,54100-35-5,77644-38-3)

Guidance literature:

With copper diacetate; In tetrahydrofuran;

DOI:10.1021/jo01342a007

upstream raw materials:

trans-decalin

methyl magnesium iodide

4a-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one

methyllithium

Refernces

• 1、 Bertz, Steven H.,Smith, Robin A. J.. "Observations on the effect of silanes on the reaction of 10-methyl.Δ19-2-octalone with lithium dimethylcuprate(I)". . p. 4091 - 4100. Retrieved 2007/10/02.
• 2、 Hannah, Donald J.,Smith, Robin A.J.,Teoh, Irene,Weavers, Rex T.. "Organocuprates as Electron Transfer Reagents. Evaluation for Conjugate Addition of Electrophiles to α,β-Unsaturated Ketones". . p. 181 - 188. Retrieved 2007/10/02.