3-bromo-N-[3-(1H-imidazol-1-yl)propyl]benzamide

Base Information

Chemical Name:3-bromo-N-[3-(1H-imidazol-1-yl)propyl]benzamide
CAS No.:93669-29-5
Molecular Formula:C13H14BrN3O
Molecular Weight:308.178
Hs Code.:
DSSTox Substance ID:DTXSID101320309
ChEMBL ID:CHEMBL151503
Mol file:93669-29-5.mol

Synonyms:3-bromo-N-[3-(1H-imidazol-1-yl)propyl]benzamide;3-bromo-N-(3-imidazol-1-ylpropyl)benzamide;93669-29-5;MLS001195529;CHEMBL151503;SCHEMBL16869708;3-bromo-N-[3-(1H-imidazol-1-yl)propyl]benzenecarboxamide;DTXSID101320309;HMS2863G23;STK191904;AKOS001093547;MS-0240;SMR000550662;CS-0295424;AK-968/11369346;n-(3-(1h-Imidazol-1-yl)propyl)-3-bromobenzamide;SR-01000112949;SR-01000112949-1;Z30217390

Suppliers and Price of 3-bromo-N-[3-(1H-imidazol-1-yl)propyl]benzamide

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 3 raw suppliers

Chemical Property of 3-bromo-N-[3-(1H-imidazol-1-yl)propyl]benzamide

Chemical Property:

Melting Point:113 - 115 °C (ethanol)
PSA：46.92000
LogP:2.85660
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:307.03202
Heavy Atom Count:18
Complexity:275

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC(=C1)Br)C(=O)NCCCN2C=CN=C2

Technology Process of 3-bromo-N-[3-(1H-imidazol-1-yl)propyl]benzamide

There total 3 articles about 3-bromo-N-[3-(1H-imidazol-1-yl)propyl]benzamide 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: 80.0%

: 5036-48-6
3-(1H-imidazol-1-yl)propan-1-amine

: 585-76-2
m-bromobenzoic acid

: 93669-29-5
3-Bromo-N-(3-imidazol-1-yl-propyl)-benzamide

Guidance literature:: With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; triethylamine; In dichloromethane; at 20 ℃; for 50h;

Reference yield: 66.0%

: 5036-48-6
3-(1H-imidazol-1-yl)propan-1-amine

: 1711-09-7
3-bromobenzoyl chloride

: 93669-29-5
3-Bromo-N-(3-imidazol-1-yl-propyl)-benzamide

Guidance literature:: With sodium hydroxide; In dichloromethane;
DOI:10.1021/jm00154a017

Reference yield:

: 23996-53-4
3-imidazol-1-yl-propionitrile

: 93669-29-5
3-Bromo-N-(3-imidazol-1-yl-propyl)-benzamide

Guidance literature:: Multi-step reaction with 2 steps

1: H₂, NH₄OH / Raney-Ni / methanol

2: 66 percent / 1 N aq. NaOH / CH₂Cl₂

With ammonium hydroxide; sodium hydroxide; hydrogen; nickel; In methanol; dichloromethane;
DOI:10.1021/jm00154a017