Cycloheptanemethylamine

Base Information

• Chemical Name: Cycloheptanemethylamine
• CAS No.: 4448-77-5
• Molecular Formula: C8H17N
• Molecular Weight: 127.23
• Hs Code.: 2921300090
• European Community (EC) Number: 224-692-0
• UNII: T955W3JLU9
• DSSTox Substance ID: DTXSID90196188
• Nikkaji Number: J205.838C
• Wikidata: Q72459529
• Mol file: 4448-77-5.mol

Synonyms:Cycloheptanemethylamine;4448-77-5;cycloheptylmethanamine;Cycloheptylmethylamine;Cycloheptanemethanamine;(Aminomethyl)cycloheptane;AMINOMETHYLCYCLOHEPTANE;T955W3JLU9;EINECS 224-692-0;cycloheptylmethyl amine;cycloheptane methylamine;(cycloheptylmethyl)amine;N-cycloheptylmethyl-amine;UNII-T955W3JLU9;SCHEMBL131488;1-CYCLOHEPTYLMETHANAMINE;DTXSID90196188;Cycloheptanemethylamine, AldrichCPR;MFCD00021674;AKOS009159046;AS-58049;A7065;FT-0624170;EN300-245077;A826599;J-011271;J-520143;J-650100;Z415655096

Chemical Property of Cycloheptanemethylamine

Chemical Property:

• Vapor Pressure: 1.44mmHg at 25°C
• Refractive Index: 1.4740
• Boiling Point: 170.8°Cat760mmHg
• Flash Point: 51.7°C
• PSA: 26.02000
• Density: 0.854g/cm³
• LogP: 2.61580
• Sensitive.: Air Sensitive
• Water Solubility.: Not miscible or difficult to mix with water.
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 127.136099547
• Heavy Atom Count: 9
• Complexity: 63

Purity/Quality:

99% ^*data from raw suppliers

Cycloheptylmethylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R10:Flammable.; R34:Causes burns.
• Hazard Codes: Xn
• Statements: 34-36-22
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCC(CC1)CN

Technology Process of Cycloheptanemethylamine

There total 4 articles about Cycloheptanemethylamine 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%

cycloheptanecarbonitrile (32730-85-1) → cycloheptylmethylamine (4448-77-5)

Guidance literature:

With samarium diiodide; water; triethylamine; In tetrahydrofuran; at 20 ℃; for 0.0833333h; Inert atmosphere;

DOI:10.1021/ol403668e

Reference yield: 84.0%

cycloheptanecarboselenoamide → cycloheptylmethylamine (4448-77-5)

Guidance literature:

With samarium diiodide; water; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

DOI:10.1021/acs.orglett.6b03325

Reference yield: 78.0%

cycloheptanecarboxamide (1459-39-8) → cycloheptylmethylamine (4448-77-5)

Guidance literature:

cycloheptanecarboxamide; With bis(cyclopentadienyl)dihydrozirconium; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; at 20 ℃; Glovebox; Inert atmosphere;

With hydrogenchloride; In diethyl ether; water; for 2h; Glovebox; Inert atmosphere;

DOI:10.1016/S1872-2067(21)63853-6

upstream raw materials:

cycloheptanecarbonitrile

cycloheptanecarboxamide

Downstream raw materials:

5-((S)-2-{[6-(Cycloheptylmethyl-carbamoyl)-1H-indole-5-carbonyl]-amino}-3-phenyl-propionylamino)-isophthalic acid dibenzyl ester

Refernces

• 1、 Thurow, Samuel,Lenardo, Eder J.,Just-Baringo, Xavier,Procter, David J.. "Reduction of selenoamides to amines using SmI2-H2O". . p. 50 - 53. Retrieved 2017/11/28.