1-[1-(Propan-2-yl)-1H-imidazol-5-yl]ethan-1-one

Base Information

Chemical Name:1-[1-(Propan-2-yl)-1H-imidazol-5-yl]ethan-1-one
CAS No.:600638-86-6
Molecular Formula:C8H12N2O
Molecular Weight:152.19368
Hs Code.:
DSSTox Substance ID:DTXSID90581338
Wikidata:Q82472433
Mol file:600638-86-6.mol

Synonyms:600638-86-6;1-[1-(Propan-2-yl)-1H-imidazol-5-yl]ethan-1-one;1-(1-Isopropyl-1H-imidazol-5-yl)ethanone;5-acetyl-1-isopropylimidazole;1-(3-ISOPROPYL-3H-IMIDAZOL-4-YL)-ETHANONE;SCHEMBL1714082;DTXSID90581338;VXQIKLXFVXWEPW-UHFFFAOYSA-N;AKOS006289014;1-(3-propan-2-ylimidazol-4-yl)ethanone

Suppliers and Price of 1-[1-(Propan-2-yl)-1H-imidazol-5-yl]ethan-1-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
1-(3-ISOPROPYL-3H-IMIDAZOL-4-YL)-ETHANONE 95.00%
5MG
$ 503.11

AccelPharmtech
1-[1-(1-methylethyl)-1H-imidazol-5-yl]-Ethanone 97.00%
5G
$ 6050.00

AccelPharmtech
1-[1-(1-methylethyl)-1H-imidazol-5-yl]-Ethanone 97.00%
1G
$ 3510.00

Total 3 raw suppliers

Chemical Property of 1-[1-(Propan-2-yl)-1H-imidazol-5-yl]ethan-1-one

Chemical Property:

PSA：34.89000
LogP:1.66660
XLogP3:0.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:152.094963011
Heavy Atom Count:11
Complexity:156

Purity/Quality:

95% ^*data from raw suppliers

1-(3-ISOPROPYL-3H-IMIDAZOL-4-YL)-ETHANONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)N1C=NC=C1C(=O)C

Technology Process of 1-[1-(Propan-2-yl)-1H-imidazol-5-yl]ethan-1-one

There total 2 articles about 1-[1-(Propan-2-yl)-1H-imidazol-5-yl]ethan-1-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: 20.0%

: 71820-63-8
N-isopropylformamidine

: 82982-51-2
3-bromo-4-methoxy-3-buten-2-one

: 600638-86-6
5-acetyl-1-isopropylimidazole

Guidance literature:: With triethylamine; In isopropyl alcohol; at 80 ℃; for 8h;

Reference yield:

: 600638-86-6
5-acetyl-1-isopropylimidazole

Guidance literature:

Reference yield:

: 600638-86-6
5-acetyl-1-isopropylimidazole

: 4-[4-(2-formyl-3-isopropyl-3H-imidazol-4-yl)-pyrimidin-2-ylamino]-benzenesulfonyl chloride

Guidance literature:: Multi-step reaction with 4 steps

1.1: N,N-dimethyl-formamide dimethyl acetal / 18 h / Heating / reflux

2.1: ISOPROPYLAMIDE / 18 h / 130 °C

3.1: n-butyllithium / tetrahydrofuran; hexane / 0.5 h / -70 °C

3.2: 18 h / -70 - 20 °C

4.1: chlorosulfonic acid; thionyl chloride / thionyl chloride / 1.67 h / 0 - 90 °C

With chlorosulfonic acid; n-butyllithium; thionyl chloride; N,N-dimethyl-formamide dimethyl acetal; In tetrahydrofuran; thionyl chloride; hexane; ISOPROPYLAMIDE;