N-Cyclohexylformamide

Base Information

• Chemical Name: N-Cyclohexylformamide
• CAS No.: 766-93-8
• Molecular Formula: C7H13NO
• Molecular Weight: 127.186
• Hs Code.: 2924299090
• European Community (EC) Number: 634-763-1
• NSC Number: 76127
• UNII: X2CFE4SDT6
• DSSTox Substance ID: DTXSID40227416
• Nikkaji Number: J49.655C
• Wikidata: Q27094495
• Metabolomics Workbench ID: 49853
• ChEMBL ID: CHEMBL46778
• Mol file: 766-93-8.mol

Synonyms:N-cyclohexylformamide

Chemical Property of N-Cyclohexylformamide

Chemical Property:

• Appearance/Colour: white crystalline low melting solid
• Vapor Pressure: 0.00853mmHg at 25°C
• Melting Point: 36-41 °C(lit.)
• Refractive Index: 1.466
• Boiling Point: 266.7 °C at 760 mmHg
• PKA: 16.07±0.20(Predicted)
• Flash Point: 149 °C
• PSA: 29.10000
• Density: 0.96 g/cm³
• LogP: 2.09190
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 127.099714038
• Heavy Atom Count: 9
• Complexity: 86.9

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-Cyclohexylformamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Amides (
• Canonical SMILES: C1CCC(CC1)NC=O
• Uses: N-Cyclohexylformamide is a useful reagent and can be used in preparation of aminobenzoxazole derivatives.

Technology Process of N-Cyclohexylformamide

There total 55 articles about N-Cyclohexylformamide 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: 100.0%

carbon dioxide (124-38-9,18923-20-1) + cyclohexylamine (108-91-8,157973-60-9) → N-cyclohexylformamide (766-93-8)

Guidance literature:

With triethylsilane; In N,N-dimethyl-formamide; at 140 ℃; for 10h; Catalytic behavior; Schlenk technique;

DOI:10.1021/jacs.8b13579

Reference yield: 99.0%

cyclohexylamine (108-91-8,157973-60-9) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → N-cyclohexylformamide (766-93-8)

Guidance literature:

With 1,2,4-Triazole; 8-quinolinol; copper(II) choride dihydrate; at 150 ℃;

DOI:10.1002/cctc.201800609

Reference yield: 98.0%

formic acid (64-18-6) + cyclohexylamine (108-91-8,157973-60-9) → N-cyclohexylformamide (766-93-8)

Guidance literature:

With TiO₂-SO₄^(2-); In acetonitrile; at 20 ℃; for 0.75h;

DOI:10.1016/j.molcata.2010.11.002

upstream raw materials:

sodium formate

cyclohexylamine hydrochloride

cyclohexanone

formamide

Downstream raw materials:

N-methylcyclohexylamine

Cyclohexyl isocyanide

glycyclamide

N-cyclohexyl-formimidic acid methyl ester

Refernces

• 1、 Zhu, Mengyi,Wang, Lijuan,Zhang, Qingbo,Ali, Muhammad,Zhu, Siqi,Yu, Peiqing,Gu, Xiaofei,Zhang, Haibo,Zhu, Yiguang,He, Jing. "Tandem Hydration of Diisonitriles Triggered by Isonitrile Hydratase in Streptomyces thioluteus". . p. 3562 - 3565. Retrieved 2018.
• 2、 Wratten,S.J.,Faulkner,D.J.. "-". . p. 7367 - 7368. Retrieved 1977.
• 3、 Amirsoleimani, Mina,Khalilzadeh, Mohammad A.,Zareyee, Daryoush. "Preparation and catalytic evaluation of a palladium catalyst deposited over modified clinoptilolite (Pd&at;MCP) for chemoselective N-formylation and N-acylation of amines". . . Retrieved 2020/08/22.
• 4、 Mali, Anil S.,Indalkar, Krishna,Chaturbhuj, Ganesh U.. "Solvent-free, Efficient Transamidation of Carboxamides with Amines Catalyzed by Recyclable Sulfated Polyborate Catalyst". . p. 369 - 378. Retrieved 2021/07/26.