4998-76-9

Basic information

• Product Name: Cyclohexylamine hydrochloride
• Synonyms: CYCLOHEXYLAMINE HCL;CYCLOHEXYLAMINE HYDROCHLORIDE;CYCLOHEXYLAMMONIUM CHLORIDE;HEXAHYDROANILINE HYDROCHLORIDE;AMINOCYCLOHEXANE HYDROCHLORIDE;Cyclohexylamine Hydrochoride;Cyclohexylaminehydrochloride,98+%;Cyclohexylammoniumchlorid
• CAS NO: 4998-76-9
• Molecular Formula: C₆H₁₄N*Cl
• Molecular Weight: 135.64
• EINECS: 225-661-4
• Product Categories: Pharmaceutical Intermediates
• Mol File: 4998-76-9.mol
• Article Data: 36

Chemical Properties

• Melting Point: 207 °C
• Boiling Point: 306 °C
• Flash Point: 32.2 °C
• Appearance: White to beige/Crystalline Powder or Crystals
• Density: 1.0013 (rough estimate)
• Vapor Pressure: 8.07mmHg at 25°C
• Refractive Index: 1.4530 (estimate)
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility: 83 g/100 mL (17 ºC)
• Sensitive: Hygroscopic
• BRN: 3613002
• CAS DataBase Reference: Cyclohexylamine hydrochloride(CAS DataBase Reference)
• NIST Chemistry Reference: Cyclohexylamine hydrochloride(4998-76-9)
• EPA Substance Registry System: Cyclohexylamine hydrochloride(4998-76-9)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 36/37/38-20/21/22-41-37/38-22
• Safety Statements: 36/37/39-26-36
• RIDADR: 2811
• RTECS: GX1440000
• TSCA: Yes
• Hazardous Substances Data: 4998-76-9(Hazardous Substances Data)

Usage

Chemical Properties

white to beige crystalline powder

Safety Profile

Poison by intraperitoneal route. Moderately toxic by ingestion. An experimental teratogen. Other experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx and HCl.

InChI:InChI=1/C6H13N.ClH/c7-6-4-2-1-3-5-6;/h6H,1-5,7H2;1H

Upstream product

• 56-23-5 tetrachloromethane 
• 96-36-6 methyl phosphite 
• 108-91-8 cyclohexylamine 
• 100-64-1 cyclohexanone-oxime 
• 19573-22-9 cyclohexyl azide 
• 17513-09-6 N′-cyanobenzamidine 
• 80355-84-6 2-Chloro-N-cyclohexyl-acetimidoyl chloride; hydrochloride 
• 32405-88-2 diethyl cyclohexylphosphoramidate 
• 139-05-9 sodium cyclamate 
• 23605-23-4 2-Chloro-N-cyclohexylacetamide 
• 62-53-3 aniline 
• 1849-02-1 2-chloro-1-methyl-benzimidazole 
• 110-82-7 cyclohexane 
• 1124-53-4 N-cyclohexylacetamide 

Downstream Products

• 626213-24-9 cyclohexyl-(5-methyl-furfuryl)-amine 
• 100051-14-7 cyclohexyl-pyrrol-2-ylmethyl-amine 
• 1074-58-4 N-(cyanomethyl)cyclohexylamine 
• 15088-29-6 N,N'-dicyclohexyl-1,4-benzenedicarboxamide 
• 86089-50-1 1-cyclohexyl-4-phenyl-piperidin-4-ol 
• 126424-21-3 N-cyclohexyl-2-azanorborn-5-ene 
• 3975-51-7 2-cyclohexyl-5-hydroxyisoindoline-1,3-dione 
• 4833-41-4 N,N',N''-tricyclohexylguanidine 
• 13134-14-0 N,N',N-tricyclohexylguanidium chloride 
• 865434-72-6 6-(hydroxymethyl)-9-(2,3,5-tri-O-(p-toluolyl)-β-D-ribofuranosyl)purine 
• 1025504-04-4 6-[(N-cyclohexylamino)methyl]-9-(2,3,5-tri-O-p-toluoyl-β-D-ribofuranosyl)purine 
• 74018-74-9 cyclohexylammonium trichlorocuprate(II) 

Relevant articles and documents

Method for preparing amine compound by reducing amide compound

The invention relates to a method for preparing an amine compound by reducing an amide compound, which comprises the following steps: in a protective atmosphere, mixing the amide compound or cyclic amide, a zirconium metal catalyst and pinacol borane, carrying out amide reduction reaction at room temperature, and carrying out aftertreatment by using an ether solution of hydrogen chloride after 12-48 hours to obtain an amine hydrochloride compound. The method is simple to operate, low in cost, good in functional group tolerance and wide in substrate range.

Metal-Free Synthesis of Heteroaryl Amines or Their Hydrochlorides via an External-Base-Free and Solvent-Free C-N Coupling Protocol

Herein, a metal-free and solvent-free protocol was developed for the C-N coupling of heteroaryl halides and amines, which afforded numerous heteroaryl amines or their hydrochlorides without any external base. Further investigations elucidated that the basicity of amines and specific interactions derived from the X-ray crystallography analysis of 3j′·HCl played pivotal roles in the reactions. Moreover, this protocol was scalable to gram scales and applicable to drug molecules, which demonstrated its practical value for further applications.

Green method for catalyzing reduction reaction of aliphatic nitro derivative

The invention relates to a green method for catalyzing reduction reaction of aliphatic nitro derivatives. According to the method, non-transition metal compounds, namely triethyl boron and potassium tert-butoxide, are used as a catalytic system for the first time, an aliphatic nitro derivative and pinacolborane which is low in price and easy to obtain are catalyzed to be subjected to a reduction reaction under mild conditions, and an aliphatic amine hydrochloride product is synthesized after acidification with a hydrochloric acid aqueous solution. Compared with a traditional method, the method generally has the advantages that the catalyst is cheap and easy to obtain, operation is convenient, and reaction is safe. The selective reduction reaction of the aliphatic nitro derivative catalyzed by the non-transition metal catalyst and pinacol borane is realized for the first time, and the aliphatic amine hydrochloride product is synthesized through acidification treatment of the hydrochloric acid aqueous solution, so that a practical new reaction strategy is provided for laboratory preparation or industrial production.