N,N-Dimethyl-1-adamantylamine

Base Information

• Chemical Name: N,N-Dimethyl-1-adamantylamine
• CAS No.: 3717-40-6
• Molecular Formula: C12H21N
• Molecular Weight: 179.305
• Hs Code.: 2921300090
• DSSTox Substance ID: DTXSID00893535
• Nikkaji Number: J73.377F
• Wikidata: Q81982609
• ChEMBL ID: CHEMBL131460
• Mol file: 3717-40-6.mol

Synonyms:N,N-Dimethyladamantyl-amine;N,N-Dimethyl-1-adamantanamine;1-(Dimethylamino)adamantane;N,N-Dimethylaminoadamantane;1-ADAMANTANAMINE,N,N-DIMETHYL;(Dimethylamino)adamantane;1-(N,N-dimethylamino)adamantane;N,N-Dimethyltricyclo(3.3.1.1(sup 3,7))decan-1-amine;(1-adamantyl)dimethylamine;N,N-dimethyl-1-adamantamine;N,N-dimethyl-1-adamantylamine;

Chemical Property of N,N-Dimethyl-1-adamantylamine

Chemical Property:

• Vapor Pressure: 0.0478mmHg at 25°C
• Boiling Point: 236.3°Cat760mmHg
• Flash Point: 88.2°C
• PSA: 3.24000
• Density: 0.99g/cm³
• LogP: 2.51680
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 179.167399674
• Heavy Atom Count: 13
• Complexity: 178

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C12CC3CC(C1)CC(C3)C2

Technology Process of N,N-Dimethyl-1-adamantylamine

There total 3 articles about N,N-Dimethyl-1-adamantylamine 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: 66.0%

methanol (67-56-1) + 1-Azidoadamantane (24886-73-5) → (1-adamantyl)dimethylamine (3717-40-6) + (1-adamantyl)(methyl)amine hydrochloride (3717-39-3)

Guidance literature:

methanol; 1-Azidoadamantane; With trans-RuCl(phenpyra-Me)(PPh₃)₂PF₆; sodium hydroxide; at 125 ℃; for 24h; Sealed tube; Inert atmosphere; Glovebox;

With hydrogenchloride;

DOI:10.1039/c8gc00863a

Reference yield: 35.0%

methanol (67-56-1) + 1-Azidoadamantane (24886-73-5) → (1-adamantyl)dimethylamine (3717-40-6) + 1-Adamantanamine (768-94-5) + (1-adamantyl)(methyl)amine hydrochloride (3717-39-3)

Guidance literature:

methanol; 1-Azidoadamantane; With trans-RuCl(phenpyra-Me)(PPh₃)₂PF₆; sodium hydroxide; at 125 ℃; for 5h; Sealed tube; Inert atmosphere; Glovebox;

With hydrogenchloride;

DOI:10.1039/c8gc00863a

Reference yield:

1-(Dimethylamino)adamantane N-oxide (3717-41-7) → methanol (67-56-1) + methane (34557-54-5,27936-85-2) + acetic acid methyl ester (79-20-9) + carbon dioxide (124-38-9,18923-20-1) + (1-adamantyl)dimethylamine (3717-40-6) + 1-adamantane-methylamine (3717-38-2)

Guidance literature:

at 165 ℃; for 6h; Product distribution; Mechanism; Rate constant; pyrolysis in a pyrex vessel, other glasses, also with additives; variation of temperature: rate of pyrolysis; k at 145.0 deg C;

DOI:10.1021/jo00058a043

upstream raw materials:

1-(Dimethylamino)adamantane N-oxide

methanol

1-Azidoadamantane

Downstream raw materials:

C₃₄H₆₂N₂⁽²⁺⁾*2I^(1-)

1-(Dimethylamino)adamantane N-oxide

7-methylenebicyclo[3.3.1]nonan-3-one

dinitrate of 1,3-adamantanediol