(S)-5-Bromo-N-((1-ethylpyrrolidin-2-YL)methyl)-2,3-dimethoxybenzamide

Base Information

Chemical Name:(S)-5-Bromo-N-((1-ethylpyrrolidin-2-YL)methyl)-2,3-dimethoxybenzamide
CAS No.:107188-74-9
Molecular Formula:C16H23 Br N2 O3
Molecular Weight:371.274
Hs Code.:2933990090
UNII:GH32HX9WCX
DSSTox Substance ID:DTXSID40432689
Nikkaji Number:J338.979K
Wikidata:Q82246796
Pharos Ligand ID:TT87GA1S2MW7
ChEMBL ID:CHEMBL289330
Mol file:107188-74-9.mol

Synonyms:5-bromo-N-((1-ethyl-2-pyrrolidinyl)methyl)-2,3-dimethoxybenzamide;cyclopropyl-FLB 457;FLB 457;FLB 457, (R)-isomer;FLB 457, (S)-isomer;FLB 457, hydrobromide, (R)-isomer;FLB 457, hydrobromide, (S)-isomer;FLB-457

Suppliers and Price of (S)-5-Bromo-N-((1-ethylpyrrolidin-2-YL)methyl)-2,3-dimethoxybenzamide

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

TRC
FLB457
25mg
$ 975.00

Crysdot
(S)-5-Bromo-N-((1-ethylpyrrolidin-2-yl)methyl)-2,3-dimethoxybenzamide 95+%
1g
$ 709.00

American Custom Chemicals Corporation
(-)-(S)-5-BROMO-2,3-DIMETHOXY-N-[(1-ETHYL-2-PYRROLIDINYL)METHYL]-BENZAMIDE 95.00%
5MG
$ 497.94

Alichem
(S)-5-Bromo-n-((1-ethylpyrrolidin-2-yl)methyl)-2,3-dimethoxybenzamide
1g
$ 758.96

Total 5 raw suppliers

Chemical Property of (S)-5-Bromo-N-((1-ethylpyrrolidin-2-YL)methyl)-2,3-dimethoxybenzamide

Chemical Property:

PSA：50.80000
LogP:3.00920
Storage Temp.:-20°C Freezer
Solubility.:Acetone (Slightly), DMSO (Slightly), Methanol (Slightly)
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:370.08921
Heavy Atom Count:22
Complexity:369

Purity/Quality:

95-99% ^*data from raw suppliers

FLB457 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN1CCCC1CNC(=O)C2=C(C(=CC(=C2)Br)OC)OC
Isomeric SMILES:CCN1CCC[C@H]1CNC(=O)C2=C(C(=CC(=C2)Br)OC)OC
Uses FLB 457 is an intermediate in the synthesis of FLB 457 Hydrobromide which is a potential antipsychotic agent; antidopaminergic.

Technology Process of (S)-5-Bromo-N-((1-ethylpyrrolidin-2-YL)methyl)-2,3-dimethoxybenzamide

There total 6 articles about (S)-5-Bromo-N-((1-ethylpyrrolidin-2-YL)methyl)-2,3-dimethoxybenzamide 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: 87.5%

: 72517-23-8
5-bromo-2,3-dimethoxybenzoic acid

: 22795-99-9
(S)-2-(Aminomethyl)-1-ethylpyrrolidine

: 107188-74-9,107188-66-9
[3H]-FLB 457

Guidance literature:: 5-bromo-2,3-dimethoxybenzoic acid; With thionyl chloride; In toluene; at 60 ℃; for 1h; Inert atmosphere;

(S)-2-(Aminomethyl)-1-ethylpyrrolidine; In dichloromethane; at 20 ℃; for 8h; Inert atmosphere; Cooling with ice;

Reference yield: 78.0%

: 107188-91-0
5-bromo-2,3-dimethoxybenzoic acid chloride

: 22795-99-9
(S)-2-(Aminomethyl)-1-ethylpyrrolidine

: 107188-74-9,107188-66-9
[3H]-FLB 457

Guidance literature:: In dichloromethane; for 4h; Ambient temperature;
DOI:10.1080/00397919108019800

Reference yield:

: 72517-23-8
5-bromo-2,3-dimethoxybenzoic acid

: 107188-74-9,107188-66-9
[3H]-FLB 457

Guidance literature:: Multi-step reaction with 2 steps

1: SOCl₂; DMF / toluene / 2 h / 80 °C

2: 3.18 g / CH₂Cl₂ / 20 °C

With thionyl chloride; N,N-dimethyl-formamide; In dichloromethane; toluene; 1: Substitution / 2: Acylation;
DOI:10.1002/(SICI)1099-1344(20000330)43:4<331::AID-JLCR320>3.0.CO;2-H