1-(3-Bromopropyl)-1H-benzo[d]imidazol-2(3H)-one

Base Information

Chemical Name:1-(3-Bromopropyl)-1H-benzo[d]imidazol-2(3H)-one
CAS No.:103784-04-9
Molecular Formula:C10H11BrN2O
Molecular Weight:255.11100
Hs Code.:
European Community (EC) Number:853-337-8
Mol file:103784-04-9.mol

Synonyms:103784-04-9;1-(3-Bromopropyl)-1,3-dihydro-2H-benzimidazol-2-one;1-(3-Bromopropyl)-1H-benzo[d]imidazol-2(3H)-one;3-(3-bromopropyl)-1H-benzimidazol-2-one;SCHEMBL6397082;MTCFXOOPGLLIDK-UHFFFAOYSA-N;EN300-22033945;1-(1-bromo-3-propyl)-1,3-dihydro-2(2H)-benzimidazolone;1-(3-bromopropyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

Suppliers and Price of 1-(3-Bromopropyl)-1H-benzo[d]imidazol-2(3H)-one

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
1-(3-Bromopropyl)-1,3-dihydro-2H-benzimidazol-2-one
100mg
$ 165.00

Total 9 raw suppliers

Chemical Property of 1-(3-Bromopropyl)-1H-benzo[d]imidazol-2(3H)-one

Chemical Property:

PKA:12.09±0.30(Predicted)
PSA：37.79000
Density:1.506±0.06 g/cm3(Predicted)
LogP:2.11460
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:254.00548
Heavy Atom Count:14
Complexity:222

Purity/Quality:

99% ^*data from raw suppliers

1-(3-Bromopropyl)-1,3-dihydro-2H-benzimidazol-2-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)NC(=O)N2CCCBr
Uses 1-(3-Bromopropyl)-1,3-dihydro-2H-benzimidazol-2-one is an impurity of Domperidone (D531100), a novel peripheral dopamine receptor antagonist that does not cross the blood-brain barrier and is used as an anti-emetic agent.

Technology Process of 1-(3-Bromopropyl)-1H-benzo[d]imidazol-2(3H)-one

There total 3 articles about 1-(3-Bromopropyl)-1H-benzo[d]imidazol-2(3H)-one 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: 92.0%

: 1148017-48-4
tert-butyl 3-(3-bromopropyl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazole-1-carboxylate

: 103784-04-9
1-(3-bromopropyl)-1H-benzo[d]imidazol-2(3H)-one

Guidance literature:: With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 3h; Inert atmosphere;
DOI:10.1021/acs.jmedchem.5b00874

Reference yield:

: 161468-45-7
tert‐butyl 2‐oxo‐2,3‐dihydro‐1H‐benzo[d]imidazole‐1‐carboxylate

: 103784-04-9
1-(3-bromopropyl)-1H-benzo[d]imidazol-2(3H)-one

Guidance literature:: Multi-step reaction with 2 steps

1: tetrabutylammomium bromide; potassium carbonate / water / 1 h / 80 °C / Inert atmosphere; Microwave irradiation

2: trifluoroacetic acid / dichloromethane / 3 h / 20 °C / Inert atmosphere

With tetrabutylammomium bromide; potassium carbonate; trifluoroacetic acid; In dichloromethane; water;
DOI:10.1021/acs.jmedchem.5b00874

Reference yield:

: 615-16-7
1,3-dihydro-2H-benzimidazol-2-one

: 103784-04-9
1-(3-bromopropyl)-1H-benzo[d]imidazol-2(3H)-one

Guidance literature:: Multi-step reaction with 3 steps

1.1: sodium hydride / N,N-dimethyl-formamide / 1 h / 20 °C / Inert atmosphere

1.2: 24 h / 20 °C / Inert atmosphere

2.1: tetrabutylammomium bromide; potassium carbonate / water / 1 h / 80 °C / Inert atmosphere; Microwave irradiation

3.1: trifluoroacetic acid / dichloromethane / 3 h / 20 °C / Inert atmosphere

With tetrabutylammomium bromide; sodium hydride; potassium carbonate; trifluoroacetic acid; In dichloromethane; water; N,N-dimethyl-formamide;
DOI:10.1021/acs.jmedchem.5b00874