2-Isopropyl-1,3,4-oxadiazole

Base Information

Chemical Name:2-Isopropyl-1,3,4-oxadiazole
CAS No.:149324-24-3
Molecular Formula:C5H8N2O
Molecular Weight:112.13000
Hs Code.:2934999090
DSSTox Substance ID:DTXSID10440610
Wikidata:Q72490664
Mol file:149324-24-3.mol

Synonyms:2-isopropyl-1,3,4-oxadiazole;149324-24-3;2-propan-2-yl-1,3,4-oxadiazole;2-(propan-2-yl)-1,3,4-oxadiazole;1,3,4-Oxadiazole, 2-(1-methylethyl)-;SCHEMBL682543;DTXSID10440610;ODZ100127;AKOS005146413;AM20080376;FT-0703191;EN300-3435564

Suppliers and Price of 2-Isopropyl-1,3,4-oxadiazole

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
2-isopropyl-1,3,4-oxadiazole
100mg
$ 90.00

Crysdot
2-Isopropyl-1,3,4-oxadiazole 95+%
1g
$ 299.00

American Custom Chemicals Corporation
2-ISOPROPYL-1,3,4-OXADIAZOLE 95.00%
5MG
$ 503.79

Alichem
2-Isopropyl-1,3,4-oxadiazole
10g
$ 1784.88

Total 13 raw suppliers

Chemical Property of 2-Isopropyl-1,3,4-oxadiazole

Chemical Property:

Vapor Pressure:4.019mmHg at 25°C
Boiling Point:154.784oC at 760 mmHg
Flash Point:45.528oC
PSA：38.92000
Density:1.031g/cm3
LogP:1.19300
XLogP3:0.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:112.063662883
Heavy Atom Count:8
Complexity:74.8

Purity/Quality:

97% ^*data from raw suppliers

2-isopropyl-1,3,4-oxadiazole ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C1=NN=CO1

Technology Process of 2-Isopropyl-1,3,4-oxadiazole

There total 2 articles about 2-Isopropyl-1,3,4-oxadiazole 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: 88.0%

: 149324-24-3
5-isopropyl-1,3,4-oxadiazole

Guidance literature:: With ammonium chloride; In ethanol; for 10h; Reflux;

Reference yield:

: 3619-17-8
isobutyric acid hydrazide

: 149-73-5
trimethyl orthoformate

: 149324-24-3
5-isopropyl-1,3,4-oxadiazole

Guidance literature:: With toluene-4-sulfonic acid; at 80 - 120 ℃;
DOI:10.1021/jm000410y

Reference yield:

: 149324-24-3
5-isopropyl-1,3,4-oxadiazole

: 1026531-06-5
(2-(4-Fluoro-phenyl)-1-{[(S)-1-(5-isopropyl-[1,3,4]oxadiazole-2-carbonyl)-2-methyl-propylcarbamoyl]-methyl}-6-oxo-1,6-dihydro-pyrimidin-5-yl)-carbamic acid benzyl ester

Guidance literature:: Multi-step reaction with 4 steps

1.1: n-BuLi; MgBr₂*OEt₂ / hexane / 1.5 h / -70 - -45 °C

1.2: hexane; tetrahydrofuran / -45 - -20 °C

2.1: HCl / dioxane / 2 h / 20 °C

3.1: HOBt*H₂O; EDC*HCl; N-methylmorpholine / dimethylformamide / 3.5 h / 20 °C

4.1: oxalyl chloride; DMSO / CH₂Cl₂ / 2 h / -70 °C

With 4-methyl-morpholine; hydrogenchloride; n-butyllithium; oxalyl dichloride; benzotriazol-1-ol; dimethyl sulfoxide; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; magnesium bromide; In 1,4-dioxane; hexane; dichloromethane; N,N-dimethyl-formamide; 4.1: Swern oxidation;
DOI:10.1021/jm000410y