Allylcyclohexylamine

Base Information

• Chemical Name: Allylcyclohexylamine
• CAS No.: 6628-00-8
• Molecular Formula: C9H17N
• Molecular Weight: 139.241
• Hs Code.: 2921300090
• European Community (EC) Number: 229-603-9
• NSC Number: 60272
• UNII: JZS5Q23KLF
• DSSTox Substance ID: DTXSID90216476
• Nikkaji Number: J81.248J
• Wikidata: Q83092706
• Mol file: 6628-00-8.mol

Synonyms:Allylcyclohexylamine;6628-00-8;n-allylcyclohexanamine;N-Allylcyclohexylamine;N-prop-2-enylcyclohexanamine;N-Allyl-N-cyclohexylamine;N-(prop-2-en-1-yl)cyclohexanamine;JZS5Q23KLF;Cyclohexanamine, N-2-propenyl-;EINECS 229-603-9;NSC-60272;NSC60272;allyl-cyclohexylamine;UNII-JZS5Q23KLF;Allylcyclohexylamine, 98%;N-Allyl-N-cyclohexylamine #;SCHEMBL479254;DTXSID90216476;STR04762;BBL103448;GEO-00059;MFCD00003836;NSC 60272;STL557258;AKOS000224800;CS-0368180;FT-0622042;A835404

Chemical Property of Allylcyclohexylamine

Chemical Property:

• Appearance/Colour: clear colourless liquid
• Vapor Pressure: 1.06mmHg at 25°C
• Refractive Index: n20/D 1.4664(lit.)
• Boiling Point: 177.1°Cat760mmHg
• PKA: 10.18±0.20(Predicted)
• Flash Point: 53.3°C
• PSA: 12.03000
• Density: 0.85g/cm³
• LogP: 2.48560
• Storage Temp.: Flammables area
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 139.136099547
• Heavy Atom Count: 10
• Complexity: 92.9

Purity/Quality:

99% ^*data from raw suppliers

Allylcyclohexylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 10-34
• Safety Statements: 16-26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C=CCNC1CCCCC1

Technology Process of Allylcyclohexylamine

There total 26 articles about Allylcyclohexylamine 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: 94.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + 1-amino-2-propene (107-11-9,30551-89-4) → N-Allylcyclohexylamin (6628-00-8)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; at 20 ℃;

DOI:10.3906/kim-0903-46

Reference yield: 73.0%

cyclohexyl azide (19573-22-9) + allyl bromide (106-95-6) → N-Allylcyclohexylamin (6628-00-8) + N,N-di-2-propenylcyclohexylamine (54391-01-4)

Guidance literature:

With indium; sodium iodide; In N,N-dimethyl-formamide; at 20 ℃; for 2.5h;

DOI:10.1081/SCC-120006459

Reference yield: 68.0%

cyclohexylamino-trimethyl-silane (5577-68-4) + allyl bromide (106-95-6) → N-Allylcyclohexylamin (6628-00-8)

Guidance literature:

With sodium methylate; In tetrahydrofuran; diethylene glycol dimethyl ether; at 40 ℃; for 15h; other aminosilane;

DOI:10.1246/cl.1981.693

upstream raw materials:

cyclohexylamine

allyl bromide

C₂₁H₂₆NOP

cyclohexylamino-trimethyl-silane

Downstream raw materials:

N¹,N⁴-Diallyl-2-bromo-N¹,N⁴-dicyclohexyl-succinamide

C₉H₁₆Cl₂NOP

C₉H₁₆Cl₂NPS

N-Allyl-N-cyclohexyl-1-amino-2-propanone

Refernces

• 1、 France, Scott P.,Howard, Roger M.,Steflik, Jeremy,Weise, Nicholas J.,Mangas-Sanchez, Juan,Montgomery, Sarah L.,Crook, Robert,Kumar, Rajesh,Turner, Nicholas J.. "Identification of Novel Bacterial Members of the Imine Reductase Enzyme Family that Perform Reductive Amination". . p. 510 - 514. Retrieved 2018/01/27.
• 2、 Wang, Mei-Yan,Cao, Yu,Liu, Xi,Wang, Ning,He, Liang-Nian,Li, Si-Han. "Photoinduced radical-initiated carboxylative cyclization of allyl amines with carbon dioxide". supporting information. p. 1240 - 1244. Retrieved 2017/08/18.