1-cyclohexyl-N-methylmethanamine

Base Information

• Chemical Name: 1-cyclohexyl-N-methylmethanamine
• CAS No.: 25756-29-0
• Molecular Formula: C8H17 N
• Molecular Weight: 127.23
• Hs Code.: 2921300090
• European Community (EC) Number: 803-547-0
• DSSTox Substance ID: DTXSID50948625
• Nikkaji Number: J34.005G
• Wikidata: Q82926447
• Mol file: 25756-29-0.mol

Synonyms:25756-29-0;1-cyclohexyl-N-methylmethanamine;(Cyclohexylmethyl)(methyl)amine;Cyclohexanemethanamine, N-methyl-;(cyclohexylmethyl)methylamine;N-Methylcyclohexanemethanamine;N-Methylcyclohexylmethylamine;BRN 2070278;Cyclohexanemethylamine, N-methyl-;1-cyclohexyl-N-Methyl-MethanaMine;N-Methyl-N-(cyclohexylmethyl) amine;N-Methyl-cyclohexanemethanamine;cyclohexylmethyl-methylamine;cyclohexylmethylmethyl-amine;N-Methylcyclohexylmethanamine;Cyclohexylmethyl-methyl-amine;SCHEMBL338123;N-(cyclohexylmethyl)-methylamine;SCHEMBL10443917;DTXSID50948625;n-(cyclohexylmethyl)-n-methylamine;MFCD01734787;STK512146;AKOS000131392;AM803595;BS-13011;LS-56946;(Cyclohexylmethyl)(methyl)amine AldrichCPR;(Cyclohexylmethyl)(methyl)amine, AldrichCPR;FT-0744284;EN300-36859;P19116;A818001;F8881-1847;Z102767074

Chemical Property of 1-cyclohexyl-N-methylmethanamine

Chemical Property:

• Vapor Pressure: 2.34mmHg at 25°C
• Melting Point: -15°C (estimate)
• Refractive Index: 1.4503 (estimate)
• Boiling Point: 160.8°Cat760mmHg
• PKA: 10.98±0.10(Predicted)
• Flash Point: 41.3°C
• PSA: 12.03000
• Density: 0.832g/cm³
• LogP: 2.17700
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 127.136099547
• Heavy Atom Count: 9
• Complexity: 65

Purity/Quality:

≥95% ^*data from raw suppliers

(Cyclohexylmethyl)(methyl)amine ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCC1CCCCC1

Technology Process of 1-cyclohexyl-N-methylmethanamine

There total 19 articles about 1-cyclohexyl-N-methylmethanamine 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: 89.0%

N-methylcyclohexanecarboxamide (6830-84-8) → N-methylcyclohexylmethylamine (25756-29-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 60 ℃; Inert atmosphere;

DOI:10.1021/jacs.8b04532

Reference yield: 81.0%

benzyl-methyl-amine (103-67-3) → N-methylcyclohexylmethylamine (25756-29-0)

Guidance literature:

With Ti₈O₈⁽¹⁴⁺⁾*6C₈H₄O₄^(2-)*4O^(2-)*3.3Li⁽¹⁺⁾*0.7Co⁽²⁺⁾*0.7C₄H₈O*0.7H^(1-); hydrogen; In neat (no solvent); at 160 ℃; for 18h; under 37503.8 Torr;

DOI:10.1021/jacs.7b11241

Reference yield: 51.0%

N-methylcyclohexanecarboxamide (6830-84-8) → N-methylcyclohexylmethylamine (25756-29-0) + di(cyclohexylmethyl)(methyl)amine

Guidance literature:

With α-Me3Si-γ-Me3SiO-poly[oxy(methylsilanediyl)]; (μ₃,η²,η³,η⁵-acenaphthylene)Ru(CO)7; In various solvent(s); at 60 ℃; for 24h;

DOI:10.1021/jo070591c

upstream raw materials:

N-methylcyclohexanecarboxamide

Cyclohexylmethyl bromide

methylamine

3-Cyclohexene-1-carboxaldehyde

Downstream raw materials:

2-[3-(N-cyclohexylmethyl-N-methylamino)propyl]-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione

3-methyl-1,3-diazaspiro[4.5]decan-2-one

(3S,4R)-3-[(cyclohexylmethyl-methyl-carbamoyloxy)-methyl]-4-({isopropyl-[4-methoxy-3-(3-methoxy-propoxy)-benzoyl]-amino}-methyl)-pyrrolidine-1-carboxylic acid tert-butyl ester

Refernces

• 1、 Ji, Pengfei,Song, Yang,Drake, Tasha,Veroneau, Samuel S.,Lin, Zekai,Pan, Xiandao,Lin, Wenbin. "Titanium(III)-Oxo Clusters in a Metal-Organic Framework Support Single-Site Co(II)-Hydride Catalysts for Arene Hydrogenation". . p. 433 - 440. Retrieved 2018/01/17.
• 2、 Schwertz, Geoffrey,Frei, Michelle S.,Witschel, Matthias C.,Rottmann, Matthias,Leartsakulpanich, Ubolsree,Chitnumsub, Penchit,Jaruwat, Aritsara,Ittarat, Wanwipa,Sch?fer, Anja,Aponte, Raphael A.,Trapp, Nils,Mark, Kerstin,Chaiyen, Pimchai,Diederich, Fran?ois. "Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs". . p. 14345 - 14357. Retrieved 2017/10/09.