Cycloheptylamine

Base Information

• Chemical Name: Cycloheptylamine
• CAS No.: 5452-35-7
• Molecular Formula: C7H15N
• Molecular Weight: 113.203
• Hs Code.: 29213099
• European Community (EC) Number: 226-693-1,273-897-1
• NSC Number: 18962
• UNII: 94Y6LRJ7TC
• DSSTox Substance ID: DTXSID7063899
• Nikkaji Number: J217H
• Wikidata: Q5768888
• ChEMBL ID: CHEMBL1171864
• Mol file: 5452-35-7.mol

Synonyms:cycloheptylamine

Chemical Property of Cycloheptylamine

Chemical Property:

• Appearance/Colour: clear colourless to slightly yellow liquid
• Vapor Pressure: 2.06mmHg at 25°C
• Melting Point: -18 °C
• Refractive Index: n20/D 1.472(lit.)
• Boiling Point: 163.4 °C at 760 mmHg
• PKA: 11.04±0.20(Predicted)
• Flash Point: 42.2 °C
• Density: 0.859 g/cm³
• Storage Temp.: Flammables area
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 113.120449483
• Heavy Atom Count: 8
• Complexity: 53.4

Purity/Quality:

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

Cycloheptylamine >97.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-37/38
• Safety Statements: 23

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCC(CC1)N

Technology Process of Cycloheptylamine

There total 15 articles about Cycloheptylamine 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: 96.0%

cycloheptanone (502-42-1) → cycloheptanamine (5452-35-7)

Guidance literature:

With tris(bipyridine)ruthenium(II) dichloride hexahydrate; diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; ammonia; thiophenol; trifluoroacetic acid; In acetonitrile; at 40 ℃; for 15h; chemoselective reaction; Sealed tube; Inert atmosphere; Irradiation;

DOI:10.1021/acs.orglett.8b01637

Reference yield: 80.0%

1-azidocycloheptane (33670-51-8) → cycloheptanamine (5452-35-7)

Guidance literature:

With dichloroborane-dimethyl sulfide; In dichloromethane; for 1h; Heating;

DOI:10.1016/S0040-4020(02)01322-4

Reference yield:

cycloheptanone oxime (2158-31-8) → cycloheptanamine (5452-35-7)

Guidance literature:

With ethanol; ammonia; nickel; at 140 ℃; under 61782.7 Torr; Hydrogenation;

DOI:10.1021/ja01109a050

upstream raw materials:

cycloheptanone oxime

cycloheptanecarboxamide

formamide

cycloheptanone

Downstream raw materials:

3-methyl-isoxazole-5-carboxylic acid 4-(cycloheptylcarbamoyl-sulfamoyl)-phenethylamide

benzyl cycloheptylcarbamate

cycloheptyl-(4-phenoxy-benzyl)-amine

cycloheptyl-(3-phenoxy-benzyl)-amine

Refernces

• 1、 Basso, Ernani A.,Fernandes, Cleverton de S.,Francisco, Camila B.,Gauze, Gisele de F.,Rittner, Roberto. "Rapid Synthesis of Primary Amines from Ketones using Choline Chloride/Urea Deep Eutectic as a Reaction Medium". . . Retrieved 2021/12/29.
• 2、 Cosgrove, Sebastian C.,Grogan, Gideon,Mangas-Sanchez, Juan,Marshall, James R.,Palmer, Ryan B.,Ramsden, Jeremy I.,Sharma, Mahima,Thorpe, Thomas W.,Turner, Nicholas J.. "Asymmetric synthesis of primary amines catalyzed by thermotolerant fungal reductive aminases". . p. 5052 - 5057. Retrieved 2020/06/09.