5-(tert-Butyl)-1H-benzo[d]imidazol-2(3H)-one

Base Information

Chemical Name:5-(tert-Butyl)-1H-benzo[d]imidazol-2(3H)-one
CAS No.:99840-59-2
Molecular Formula:C11H14N2O
Molecular Weight:190.24200
Hs Code.:2933990090
DSSTox Substance ID:DTXSID50469688
Wikidata:Q82297510
Mol file:99840-59-2.mol

Synonyms:99840-59-2;5-(tert-Butyl)-1H-benzo[d]imidazol-2(3H)-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;5-tert-butyl-1H-benzo[d]imidazol-2(3H)-one;2H-Benzimidazol-2-one,5-(1,1-dimethylethyl)-1,3-dihydro-(9CI);SCHEMBL2054571;SCHEMBL6221498;SCHEMBL15945342;DTXSID50469688;AKOS006285159;2h-benzimidazol-2-one,5-tert-butyl-1,3-dihydro-;5-tert-Butyl-1,3-dihydro-2H-benzimidazol-2-one

Suppliers and Price of 5-(tert-Butyl)-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

American Custom Chemicals Corporation
5-(1,1-DIMETHYLETHYL)-1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE 95.00%
5MG
$ 499.38

Alichem
5-(tert-Butyl)-1H-benzo[d]imidazol-2(3H)-one
5g
$ 1079.00

Alichem
5-(tert-Butyl)-1H-benzo[d]imidazol-2(3H)-one
1g
$ 437.00

Total 4 raw suppliers

Chemical Property of 5-(tert-Butyl)-1H-benzo[d]imidazol-2(3H)-one

Chemical Property:

Boiling Point:196.2±10.0 °C(Predicted)
PKA:12.26±0.30(Predicted)
PSA：48.65000
Density:1.094±0.06 g/cm3(Predicted)
LogP:2.15370
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:190.110613074
Heavy Atom Count:14
Complexity:244

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

5-(1,1-DIMETHYLETHYL)-1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)C1=CC2=C(C=C1)NC(=O)N2

Technology Process of 5-(tert-Butyl)-1H-benzo[d]imidazol-2(3H)-one

There total 5 articles about 5-(tert-Butyl)-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: 93.0%

: 68176-57-8
4-(tert-butyl)-1,2-diaminobenzene

: 530-62-1
1,1'-carbonyldiimidazole

: 99840-59-2
5-(1,1-dimethylethyl)-1,3-dihydrobenzimidazol-2-one

Guidance literature:: In tetrahydrofuran; at 20 ℃; for 16h;
DOI:10.1021/jm060065y

Reference yield: 61.0%

: 6310-19-6
4-tert-butyl-2-nitroaniline

: benzene-1,3,5-triyl triformate

: 99840-59-2
5-(1,1-dimethylethyl)-1,3-dihydrobenzimidazol-2-one

Guidance literature:: With selenium; triethylamine; In N,N-dimethyl-formamide; at 120 ℃; Inert atmosphere; Sealed tube;
DOI:10.1002/ejoc.201801739