N-(5,5-Dimethylhex-3-yn-1-yl)-N-methyl-1-naphthalenemethanamine

Base Information

Chemical Name:N-(5,5-Dimethylhex-3-yn-1-yl)-N-methyl-1-naphthalenemethanamine
CAS No.:104147-39-9
Molecular Formula:C₂₀H₂₅N
Molecular Weight:279.425
Hs Code.:
DSSTox Substance ID:DTXSID80146319
Nikkaji Number:J584.688I
ChEMBL ID:CHEMBL155345
Mol file:104147-39-9.mol

Synonyms:N-(5,5-dimethylhex-3-yn-1-yl)-N-methyl-1-naphthalenemethanamine;N-DMHY-NMNH2

Suppliers and Price of N-(5,5-Dimethylhex-3-yn-1-yl)-N-methyl-1-naphthalenemethanamine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of N-(5,5-Dimethylhex-3-yn-1-yl)-N-methyl-1-naphthalenemethanamine

Chemical Property:

Vapor Pressure:2.36E-06mmHg at 25°C
Boiling Point:392°Cat760mmHg
Flash Point:170.9°C
PSA：3.24000
Density:1.001g/cm³
LogP:4.71120
XLogP3:5.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:279.198699802
Heavy Atom Count:21
Complexity:378

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C#CCCN(C)CC1=CC=CC2=CC=CC=C21

Technology Process of N-(5,5-Dimethylhex-3-yn-1-yl)-N-methyl-1-naphthalenemethanamine

There total 4 articles about N-(5,5-Dimethylhex-3-yn-1-yl)-N-methyl-1-naphthalenemethanamine 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: 70.5%

: 14489-75-9
N-methyl-1-naphthalenemethylamine

: 135679-62-8
(5,5-dimethyl-3-hexynyl)methanesulfonate

: 104147-39-9
N-(5,5-dimethyl-3-hexynyl)-N-methyl-1-naphthalenemethanamine

Guidance literature:: In N,N-dimethyl-formamide; at 100 ℃; for 4h;
DOI:10.1021/jm00031a010

Reference yield:

: 105418-43-7
5,5-dimethyl-3-hexyn-1-ol

: 14489-75-9
N-methyl-1-naphthalenemethylamine

: 124-63-0
methanesulfonyl chloride

: 104147-39-9
N-(5,5-dimethyl-3-hexynyl)-N-methyl-1-naphthalenemethanamine

Guidance literature:: With triethylamine; In N-methyl-acetamide;

Reference yield:

: 917-92-0
3,3-Dimethylbut-1-yne

: 104147-39-9
N-(5,5-dimethyl-3-hexynyl)-N-methyl-1-naphthalenemethanamine

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) n-BuLi, 2.) hexamethylphosphoric triamide / 1.) hexane, THF, -20 deg C, 45 min, 2.) hexane, THF, ether, RT, overnight

2: 100 percent / Et₃N / CH₂Cl₂ / 0.5 h / 0 °C

3: 70.5 percent / dimethylformamide / 4 h / 100 °C

With N,N,N,N,N,N-hexamethylphosphoric triamide; n-butyllithium; triethylamine; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm00031a010