3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,5,6-trimethoxybenzamide

Base Information

Chemical Name:3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,5,6-trimethoxybenzamide
CAS No.:101460-27-9
Molecular Formula:C₁₉H₃₀N₂O₄
Molecular Weight:350.458
Hs Code.:
ChEMBL ID:CHEMBL1907704
DSSTox Substance ID:DTXSID001138658
Nikkaji Number:J292.740C

Synonyms:CHEMBL1907704;SCHEMBL9549985;DTXSID001138658;BDBM50409803;101460-27-9;Benzamide, 3-ethyl-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2,5,6-trimethoxy-, (S)-

Suppliers and Price of 3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,5,6-trimethoxybenzamide

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 1 raw suppliers

Chemical Property of 3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,5,6-trimethoxybenzamide

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:350.22055744
Heavy Atom Count:25
Complexity:420

Purity/Quality:: 99% ，98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCC1=CC(=C(C(=C1OC)C(=O)NCC2CCCN2CC)OC)OC
Isomeric SMILES:CCC1=CC(=C(C(=C1OC)C(=O)NC[C@@H]2CCCN2CC)OC)OC

Technology Process of 3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,5,6-trimethoxybenzamide

There total 2 articles about 3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,5,6-trimethoxybenzamide 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:

: 125198-30-3
1-ethyl-2,4,5-trimethoxybenzene

: 101460-27-9
3-Ethyl-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2,5,6-trimethoxy-benzamide

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) BuLi / 1.) hexane, THF, 20 deg C to 30 deg C, 1.5 h, 2.) Et₂O

2: thionyl chloride, DMF / toluene / 1 h / 60 °C

3: CHCl₃ / 0.5 h / 50 °C

With n-butyllithium; thionyl chloride; N,N-dimethyl-formamide; In chloroform; toluene;
DOI:10.1021/jm00166a012

Reference yield:

: 101460-28-0
3-ethyl-2,5,6-trimethoxybenzoic acid

: 101460-27-9
3-Ethyl-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2,5,6-trimethoxy-benzamide

Guidance literature:: Multi-step reaction with 2 steps

1: thionyl chloride, DMF / toluene / 1 h / 60 °C

2: CHCl₃ / 0.5 h / 50 °C

With thionyl chloride; N,N-dimethyl-formamide; In chloroform; toluene;
DOI:10.1021/jm00166a012

Reference yield: 5.0%

: 101460-27-9
3-Ethyl-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2,5,6-trimethoxy-benzamide

: 101460-44-0
(S)-(-)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-3-ethyl-2-hydroxy-5,6-dimethoxybenzamide

: 101460-45-1
3-Ethyl-N-((R)-1-ethyl-pyrrolidin-2-ylmethyl)-6-hydroxy-2,5-dimethoxy-benzamide

Guidance literature:: With hydrogenchloride; boron tribromide; In diethyl ether; dichloromethane; for 1h; Ambient temperature;
DOI:10.1021/jm00166a012