2-[3-(2-Aminoethyl)-1-adamantyl]ethanamine

Base Information

• Chemical Name: 2-[3-(2-Aminoethyl)-1-adamantyl]ethanamine
• CAS No.: 51545-05-2
• Molecular Formula: C14H26N2
• Molecular Weight: 222.374
• Hs Code.: 2921300090
• DSSTox Substance ID: DTXSID50355956
• Nikkaji Number: J1.194.477I
• Wikidata: Q72436571
• Mol file: 51545-05-2.mol

Synonyms:51545-05-2;2,2'-(Adamantane-1,3-diyl)diethanamine;2-[3-(2-aminoethyl)-1-adamantyl]ethanamine;CBMicro_016482;2-[3-(2-aminoethyl)-1-adamantyl]ethylamine;Tricyclo[3.3.1.13,7]decane-1,3-diethanamine;Oprea1_521109;Oprea1_835571;SCHEMBL3790792;2-[3-(2-AMINOETHYL)ADAMANTAN-1-YL]ETHAN-1-AMINE;DTXSID50355956;HMS1627A01;BCA54505;CCG-13575;STK683809;AKOS000567427;NCGC00323979-01;BIM-0016473.P001;CS-0331913;AB01319253-02;2,2'-(Adamantane-1,3-diyl)bis(ethan-1-amine);AG-670/25001062;Tricyclo[3.3.1.1~3,7~]decane-1,3-diethanamine;2,2'-tricyclo[3.3.1.1~3,7~]decane-1,3-diyldiethanamine;2,2'-(Tricyclo[3.3.1.1~3,7~]decane-1,3-diyl)di(ethan-1-amine)

Chemical Property of 2-[3-(2-Aminoethyl)-1-adamantyl]ethanamine

Chemical Property:

• PSA: 52.04000
• Density: 1.051±0.06 g/cm3 (20 oC 760 Torr)
• LogP: 3.67120
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 222.209598838
• Heavy Atom Count: 16
• Complexity: 236

Purity/Quality:

98%Min ^*data from raw suppliers

2,2'-(Adamantane-1,3-diyl)diethanamine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2CC3(CC1CC(C2)(C3)CCN)CCN

Technology Process of 2-[3-(2-Aminoethyl)-1-adamantyl]ethanamine

There total 2 articles about 2-[3-(2-Aminoethyl)-1-adamantyl]ethanamine 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:

1,3-adamantanediacetonitrile (41510-94-5) → 1,3-bis(aminoethyl)adamantane (51545-05-2)

Guidance literature:

With sodium hydroxide; hydrogen; nickel;

DOI:10.1021/jm00241a015

Reference yield:

→ 1,3-bis(aminoethyl)adamantane (51545-05-2)

Guidance literature:

aus entspr. Nitril durch Red.;

Reference yield: 98.0%

1,3-bis(aminoethyl)adamantane (51545-05-2) + 4-nitrobenzaldehdye (555-16-8) → 1,3-Bis[2-(p-nitrobenzylideneamino)ethyl]adamantane (307346-14-1)

Guidance literature:

In ethanol; at 78 ℃; for 1.5h;

upstream raw materials:

1,3-adamantanediacetonitrile

Downstream raw materials:

C₂₈H₃₄N₂O₂

1,3-Bis[2-(p-nitrobenzylideneamino)ethyl]adamantane

1,3-bis[2-(m-phenoxybenzylideneamino)ethyl]adamantane

Refernces