N-[3-[3-[1-(Dimethylamino)ethyl]phenoxy]propyl]-1,2-dithiolane-3-pentanamide

Base Information

Chemical Name:N-[3-[3-[1-(Dimethylamino)ethyl]phenoxy]propyl]-1,2-dithiolane-3-pentanamide
CAS No.:903588-24-9
Molecular Formula:C₂₁H₃₄N₂O₂S₂
Molecular Weight:410.645
Hs Code.:
ChEMBL ID:CHEMBL1912064
DSSTox Substance ID:DTXSID901142191

Synonyms:CHEMBL1912064;SCHEMBL5483643;ZRDZIXJPHJDNOM-UHFFFAOYSA-N;DTXSID901142191;BDBM50355822;N-[3-[3-[1-(Dimethylamino)ethyl]phenoxy]propyl]-1,2-dithiolane-3-pentanamide;903588-24-9;5-[1,2]dithiolan-3-yl-pentanoic acid {3-[3-(1-dimethylamino-ethyl)-phenoxy]-propyl}-amide;5-[1,2]dithiolan-3-yl-pentanoic acid {3-[3-(1-dimethylaminoethyl)-phenoxy]-propyl}-amide

Suppliers and Price of N-[3-[3-[1-(Dimethylamino)ethyl]phenoxy]propyl]-1,2-dithiolane-3-pentanamide

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of N-[3-[3-[1-(Dimethylamino)ethyl]phenoxy]propyl]-1,2-dithiolane-3-pentanamide

Chemical Property:

XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:12
Exact Mass:410.20617068
Heavy Atom Count:27
Complexity:423

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C1=CC(=CC=C1)OCCCNC(=O)CCCCC2CCSS2)N(C)C

Technology Process of N-[3-[3-[1-(Dimethylamino)ethyl]phenoxy]propyl]-1,2-dithiolane-3-pentanamide

There total 4 articles about N-[3-[3-[1-(Dimethylamino)ethyl]phenoxy]propyl]-1,2-dithiolane-3-pentanamide 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: 30.0%

: 903588-33-0
3-(3-(1-(dimethylamino)ethyl)phenoxy)propan-1-amine

: 1077-28-7,62-46-4
Thioctic acid

: 903588-24-9
N-(3-(3-(1-(dimethylamino)ethyl)phenoxy)propyl)-5-(1,2-dithiolan-3-yl)pentanamide

Guidance literature:: With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 2.25h; Inert atmosphere; Darkness;
DOI:10.1016/j.ejmech.2011.09.001

Reference yield: 30.0%

: 903588-24-9
N-(3-(3-(1-(dimethylamino)ethyl)phenoxy)propyl)-5-(1,2-dithiolan-3-yl)pentanamide

Guidance literature:

Reference yield:

: 1350432-40-4
tert-butyl 3-(3-(1-(dimethylamino)ethyl)phenoxy)propylcarbamate

: 903588-24-9
N-(3-(3-(1-(dimethylamino)ethyl)phenoxy)propyl)-5-(1,2-dithiolan-3-yl)pentanamide

Guidance literature:: Multi-step reaction with 2 steps

1: trifluoroacetic acid / dichloromethane / 2 h / 20 °C

2: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / N,N-dimethyl-formamide / 2.25 h / 0 - 20 °C / Inert atmosphere; Darkness

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; trifluoroacetic acid; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1016/j.ejmech.2011.09.001