3-Azabicyclo[3.2.2]nonane

Base Information

• Chemical Name: 3-Azabicyclo[3.2.2]nonane
• CAS No.: 283-24-9
• Molecular Formula: C8H15N
• Molecular Weight: 125.214
• Hs Code.: 2933990090
• NSC Number: 78443
• DSSTox Substance ID: DTXSID7059771
• Nikkaji Number: J36.175E
• Wikidata: Q81988955
• ChEMBL ID: CHEMBL2079064
• Mol file: 283-24-9.mol

Synonyms:3-Azabicyclo[3.2.2]nonane;283-24-9;3-AZABICYCLO(3.2.2)NONANE;NSC 78443;BRN 0878218;AI3-26871;5-20-04-00370 (Beilstein Handbook Reference);NSC78443;SCHEMBL212630;3-aza-bicyclo[3.2.2]nonane;SCHEMBL2388239;CHEMBL2079064;DTXSID7059771;3-aza-bicyclo[3.2.2] nonane;3-Aza-bicyclo-[3.2.2]nonane;MFCD00167979;NSC-78443;STK689059;AKOS005601271;AKOS006337412;(1s,5s)-3-azabicyclo[3.2.2]nonane;NCGC00340911-01;LS-22379;SY278854;CS-0054142;FT-0615082;AB01332690-02;EN300-4324319;3-Azabicyclo[3.2.2]nonane, hydrochloride (1:1)

Chemical Property of 3-Azabicyclo[3.2.2]nonane

Chemical Property:

• Vapor Pressure: 0.604mmHg at 25°C
• Melting Point: 163°C
• Refractive Index: 1.472
• Boiling Point: 188.287 °C at 760 mmHg
• PKA: 11.57±0.20(Predicted)
• Flash Point: 60.78 °C
• PSA: 12.03000
• Density: 0.916 g/cm³
• LogP: 1.72480
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 125.120449483
• Heavy Atom Count: 9
• Complexity: 80.7

Purity/Quality:

97% ^*data from raw suppliers

3-Azabicyclo[3.2.2]nonane 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2CCC1CNC2

Technology Process of 3-Azabicyclo[3.2.2]nonane

There total 2 articles about 3-Azabicyclo[3.2.2]nonane 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:

bis-1,4-(hydroxymethyl)cyclohexane (105-08-8) → 4-(aminomethyl)-cyclohexanemethanol (1074-62-0) + 1,4-bis-(aminomethyl)cyclohexane (2549-93-1) + 3-azabicyclo[3,2,2]nonane (283-24-9)

Guidance literature:

With ammonia; hydrogen; In water; at 190 ℃; under 150015 Torr; Overall yield = 87.4 %;

DOI:10.1134/S1070428016120071

Reference yield:

cyclohexylmethyl alcohol (100-49-2) → 4-(aminomethyl)-cyclohexanemethanol (1074-62-0) + 1,4-bis-(aminomethyl)cyclohexane (2549-93-1) + 3-azabicyclo[3,2,2]nonane (283-24-9)

Guidance literature:

With ammonia; hydrogen; Cu#Ni#Cr; at 180 - 210 ℃; under 130050 Torr; Product distribution / selectivity;

Reference yield: 100.0%

(3RS)-3-benzyloxycarbonylamino-1-carboxymethyl-2,3-dihydro-5-cyclohexyl-9-methyl-1H-1,4-benzodiazepin-2-one (205991-24-8) + 3-azabicyclo[3,2,2]nonane (283-24-9) → (3RS)-1-(3-azabicyclo[3.2.2]nonan-3-yl)carboxymethyl-3-benzyloxycarbonylamino-5-cyclohexyl-2,3-dihydro-9-methyl-1H-1,4-benzodiazepin-2-one (205991-25-9)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1248/cpb.48.1

upstream raw materials:

cyclohexylmethyl alcohol

bis-1,4-(hydroxymethyl)cyclohexane

Downstream raw materials:

3-aza-bicyclo[3.2.2]nonane-3-carboxylic acid 4-[2-(5-methyl-isoxazole-3-carbonylamino)-ethyl]-benzenesulfonylamide

3-(3-aza-bicyclo[3.2.2]non-3-yl)-1,2-diphenyl-propan-1-one

3-azabicyclo<3.2.2>nonane-3-thiocarboxylic acid 2-<1-(2-pyridinyl 1-oxide)ethylidene>hydrazine

N-[4-(3 Azabicyclo[3.2.2]nonan-3-yl)-2-butynyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide

Refernces

REDUCTIVE ACETYLATION OF NITROCARBOXYLIC ACIDS OF THE THIOPHENE AND FURAN SERIES OR THEIR ESTERS

10.1007/BF00842830

The research explores a method for producing acetylamino derivatives of thiophene and furan carboxylic acids or their esters through reductive acetylation using reduced iron in a mixture of acetic acid and acetic anhydride. The purpose is to develop an efficient method for synthesizing these compounds, which are valuable intermediates in drug synthesis. The study concludes that this method yields good results, particularly for 5-alkyl-4-nitro-2-thiophenecarboxylic acids and their esters, achieving higher yields compared to previous methods using skeletal nickel. For instance, a yield of about 80% was achieved for 4-acetylamino-2-thiophenecarboxylic acid from a mixture of nitroacids. The research also demonstrates the stability of certain functional groups under these conditions, such as the retention of chlorine in 4-nitro-5-chloro-2-thiophenecarboxylic acid and partial debromination in 4-nitro-5-bromo-2-thiophenecarboxylic acid. The study provides detailed experimental procedures and characterizes the synthesized compounds through yields, melting points, and elemental analysis.

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