3-Bromo-N-((1-ethyl-2-pyrrolidinyl)-methyl)-5-hydroxy-2,6-dimethoxybenzamide hydrochloride

Base Information

Chemical Name:3-Bromo-N-((1-ethyl-2-pyrrolidinyl)-methyl)-5-hydroxy-2,6-dimethoxybenzamide hydrochloride
CAS No.:101460-36-0
Molecular Formula:C16H23 Br N2 O4
Molecular Weight:0
Hs Code.:
DSSTox Substance ID:DTXSID60906195
Mol file:101460-36-0.mol

Synonyms:3-bromo-N-((1-ethyl-2-pyrrolidinyl)-methyl)-5-hydroxy-2,6-dimethoxybenzamide hydrochloride;NCQ 469;NCQ-469

Suppliers and Price of 3-Bromo-N-((1-ethyl-2-pyrrolidinyl)-methyl)-5-hydroxy-2,6-dimethoxybenzamide hydrochloride

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 2 raw suppliers

Chemical Property of 3-Bromo-N-((1-ethyl-2-pyrrolidinyl)-methyl)-5-hydroxy-2,6-dimethoxybenzamide hydrochloride

Chemical Property:

Vapor Pressure:8.14E-09mmHg at 25°C
Boiling Point:452.8°Cat760mmHg
Flash Point:227.6°C
PSA：74.52000
Density:1.355g/cm³
LogP:2.89870
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:386.08412
Heavy Atom Count:23
Complexity:398

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN1CCCC1CNC(=O)C2=C(C(=CC(=C2OC)Br)O)OC

Technology Process of 3-Bromo-N-((1-ethyl-2-pyrrolidinyl)-methyl)-5-hydroxy-2,6-dimethoxybenzamide hydrochloride

There total 10 articles about 3-Bromo-N-((1-ethyl-2-pyrrolidinyl)-methyl)-5-hydroxy-2,6-dimethoxybenzamide hydrochloride 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: 88.0%

: 148460-88-2
(S)-5-Bromo-2,6-dimethoxy-N-<(1-ethyl-2-pyrrolidinyl)methyl>-3-pivaloylbenzamide

: 101460-36-0
FLA 873

Guidance literature:: With hydrogenchloride; at 80 ℃; for 4h;
DOI:10.1021/jo00065a015

Reference yield:

: 1466-76-8
2-6-dimethoxybenzoic acid

: 101460-36-0
FLA 873

Guidance literature:: Multi-step reaction with 10 steps

1: 1) SOCl₂, DMF / 1) toluene, 2) CH₂Cl₂, overnight

2: trifluoroacetic anhydride / 1) 40 deg C, 8 h, 2) rt, 16 h

3: m-chloroperbenzoic acid, p-TsOH / CHCl₃ / 24 h / Ambient temperature

4: aq. HCl / acetone / 6 h / 60 °C

5: 89 percent / CHCl₃; trifluoroacetic acid / 16 h / 60 °C

6: 90 percent / Br₂ / CHCl₃; trifluoroacetic acid / 4.5 h / Ambient temperature

7: 63 percent / Zn, aq. HOAc / tetrahydrofuran / 3.5 h / ice bath

8: SOCl₂, DMF / toluene / 1.5 h / 60 °C

9: CH₂Cl₂

10: 88 percent / aq. HCl / 4 h / 80 °C

With hydrogenchloride; thionyl chloride; bromine; toluene-4-sulfonic acid; acetic acid; N,N-dimethyl-formamide; 3-chloro-benzenecarboperoxoic acid; trifluoroacetic anhydride; zinc; In tetrahydrofuran; dichloromethane; chloroform; acetone; toluene; trifluoroacetic acid;
DOI:10.1021/jo00065a015

Reference yield:

: 148460-81-5
2,2,2-Trichloroethyl 2,6-Dimethoxybenzoate

: 101460-36-0
FLA 873

Guidance literature:: Multi-step reaction with 9 steps

1: trifluoroacetic anhydride / 1) 40 deg C, 8 h, 2) rt, 16 h

2: m-chloroperbenzoic acid, p-TsOH / CHCl₃ / 24 h / Ambient temperature

3: aq. HCl / acetone / 6 h / 60 °C

4: 89 percent / CHCl₃; trifluoroacetic acid / 16 h / 60 °C

5: 90 percent / Br₂ / CHCl₃; trifluoroacetic acid / 4.5 h / Ambient temperature

6: 63 percent / Zn, aq. HOAc / tetrahydrofuran / 3.5 h / ice bath

7: SOCl₂, DMF / toluene / 1.5 h / 60 °C

8: CH₂Cl₂

9: 88 percent / aq. HCl / 4 h / 80 °C

With hydrogenchloride; thionyl chloride; bromine; toluene-4-sulfonic acid; acetic acid; N,N-dimethyl-formamide; 3-chloro-benzenecarboperoxoic acid; trifluoroacetic anhydride; zinc; In tetrahydrofuran; dichloromethane; chloroform; acetone; toluene; trifluoroacetic acid;
DOI:10.1021/jo00065a015