53460-46-1

Basic information

• Product Name: 1,3,3-TRIMETHYL-6-AZA-BICYCLO[3.2.1]OCTANE
• Synonyms: AURORA KA-5720;LABOTEST-BB LT00053030;1,3,3-TRIMETHYL-6-AZA-BICYCLO[3.2.1]OCTANE;3,3,5-Trimethyl-7-azabicyclo[3.2.1]octane;4,4,6-Trimethyl-2,6-methanohexahydro-1H-azepine;1,3,3-Trimethyl-6-azabicyclo[3.2.1]octane,97%;6-azabicyclo[3.2.1]octane, 1,3,3-trimethyl-;(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane(SALTDATA: FREE)
• CAS NO: 53460-46-1
• Molecular Formula: C₁₀H₁₉N
• Molecular Weight: 153.26
• EINECS: 258-569-8
• Mol File: 53460-46-1.mol
• Article Data: 2

Chemical Properties

• Melting Point: 93°C
• Boiling Point: 266.22°C (rough estimate)
• Flash Point: 75°C
• Appearance: /
• Density: 0.9270 (rough estimate)
• Vapor Pressure: 0.578mmHg at 25°C
• Refractive Index: 1.5220 (estimate)
• CAS DataBase Reference: 1,3,3-TRIMETHYL-6-AZA-BICYCLO[3.2.1]OCTANE(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3,3-TRIMETHYL-6-AZA-BICYCLO[3.2.1]OCTANE(53460-46-1)
• EPA Substance Registry System: 1,3,3-TRIMETHYL-6-AZA-BICYCLO[3.2.1]OCTANE(53460-46-1)

Safety Data

• Safety Statements: S24/25:Avoid contact with skin and eyes.
• HazardClass: IRRITANT
• Hazardous Substances Data: 53460-46-1(Hazardous Substances Data)

Usage

Chemical Properties

CLEAR COLOURLESS LIQUID

InChI:InChI=1/C10H19N/c1-9(2)4-8-5-10(3,6-9)7-11-8/h8,11H,4-7H2,1-3H3/p+1/t8-,10-/m1/s1

Upstream product

• 7027-11-4 isophoronenitrile 

Downstream Products

• 81811-07-6 6-Ethyl-1,3,3-trimethyl-6-aza-bicyclo[3.2.1]octane; hydriodide 
• 88502-86-7 6-chloroacetyl-1,3,3-trimethyl-6-azabicyclo<3.2.1>octane 
• 777081-72-8 [4-(1,3,3-trimethyl-6-aza-bicyclo[3.2.1]octane-6-carbonyl)-phenyl]carbamic acid tert-butyl ester 
• 1173693-73-6 (6-(4-Methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone 
• 1178327-82-6 [5-bromo-thiophen-3-yl]-(1,3,3-trimethyl-6-aza-bicyclo[3.2.1]oct-6-yl)-methanone 

Relevant articles and documents

METHOD FOR THE PRODUCTION OF ISOPHORONDIAMINE (IPDA, 3-AMINOMETHYL-3,5,5-TRIMETHYLCYCLOHEXYLAMINE) HAVING A HIGH CIS/TRANS-ISOMER RATIO

The invention relates to a method for the production of 3 aminomethyl-3,5,5- trimethylcyclohexylamine (isophorondiamine, IPDA) which has a high cis/trans isomer ratio. IPDA having a cis/trans isomer ratio in the range of 63/37 - 66/34 can be obtained in a temperature-independent manner by reacting IPDA having any particular cis/trans isomer ratio with H2 and NH3 in the presence of a hydrogenating catalyst. IPDA having a cis/trans isomer ratio of at least 73/27, which is an important starting material for the synthesis of polyurethanes and polyamides, can be obtained by combining said isomerization method with distillation methods.