N-methylcyclohexanecarboxamide

Base Information

• Chemical Name: N-methylcyclohexanecarboxamide
• CAS No.: 6830-84-8
• Molecular Formula: C8H15NO
• Molecular Weight: 141.213
• DSSTox Substance ID: DTXSID80391640
• Nikkaji Number: J2.810.194E
• Wikidata: Q82189241
• Mol file: 6830-84-8.mol

Synonyms:N-methylcyclohexanecarboxamide;6830-84-8;Cyclohexanecarboxamide, N-methyl-;Hexahydro- N-methylbenzamid;SCHEMBL413228;DTXSID80391640;VJPHAMJNGICSLT-UHFFFAOYSA-N;AKOS004107522

Chemical Property of N-methylcyclohexanecarboxamide

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 141.115364102
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CNC(=O)C1CCCCC1

Technology Process of N-methylcyclohexanecarboxamide

There total 16 articles about N-methylcyclohexanecarboxamide 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%

methylamine (74-89-5) + cyclohexanylcarbonyl chloride (2719-27-9) → N-methylcyclohexanecarboxamide (6830-84-8)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃;

Reference yield: 97.0%

N-methylbenzamide (88070-48-8) → N-methylcyclohexanecarboxamide (6830-84-8)

Guidance literature:

With 10% Pt/activated carbon; isopropyl alcohol; In water; at 100 ℃; for 48h; Sealed tube;

DOI:10.1002/adsc.201500263

Reference yield: 95.0%

methylamine hydrochloride (593-51-1) + cyclohexanylcarbonyl chloride (2719-27-9) → N-methylcyclohexanecarboxamide (6830-84-8)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/jacs.8b04532

upstream raw materials:

methylamine

cyclohexanylcarbonyl chloride

N-Methylformamide

methyl cyclohexylcarboxylate

Downstream raw materials:

1-Methyl-5-cyclohexyl-tetrazol

N-methylcyclohexylmethylamine

N-(2,2-dimethylpropanoyl)-N-cyclohexanoylmethanamine

cyclohexyl methyl ketone oxime

Refernces

• 1、 Chen, Yiding,Murray, Philip R. D.,Davies, Alyn T.,Willis, Michael C.. "Direct Copper-Catalyzed Three-Component Synthesis of Sulfonamides". supporting information. p. 8781 - 8787. Retrieved 2018/07/29.
• 2、 Sawama, Yoshinari,Mori, Misato,Yamada, Tsuyoshi,Monguchi, Yasunari,Sajiki, Hironao. "Hydrogen Self-Sufficient Arene Reduction to Cyclohexane Derivatives Using a Combination of Platinum on Carbon and 2-Propanol". supporting information. p. 3667 - 3670. Retrieved 2016/01/25.