2-Butyl-1,3,4-oxadiazole

Base Information

Chemical Name:2-Butyl-1,3,4-oxadiazole
CAS No.:944892-25-5
Molecular Formula:C₆H₁₀N₂O
Molecular Weight:126.158
Hs Code.:2934999090
DSSTox Substance ID:DTXSID40443619
Wikidata:Q72514459
Mol file:944892-25-5.mol

Synonyms:2-butyl-1,3,4-oxadiazole;944892-25-5;SCHEMBL2662836;DTXSID40443619;ODZ100706;AKOS005145938;AM20120369;FT-0739306

Suppliers and Price of 2-Butyl-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

Crysdot
2-Butyl-1,3,4-oxadiazole 95+%
5g
$ 823.00

American Custom Chemicals Corporation
2-BUTYL-1,3,4-OXADIAZOLE 95.00%
5MG
$ 496.60

Alichem
2-Butyl-1,3,4-oxadiazole
1g
$ 400.00

Total 13 raw suppliers

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

Chemical Property:

Vapor Pressure:1.002mmHg at 25°C
Boiling Point:184.455°C at 760 mmHg
PKA:-3.52±0.34(Predicted)
Flash Point:61.722°C
PSA：38.92000
Density:1.013g/cm³
LogP:1.41220
Storage Temp.:2-8°C
XLogP3:1.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:126.079312947
Heavy Atom Count:9
Complexity:77.5

Purity/Quality:

97% ^*data from raw suppliers

2-Butyl-1,3,4-oxadiazole 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC1=NN=CO1

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

There total 2 articles about 2-Butyl-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:

: 38291-82-6
valeric acid hydrazide

: 149-73-5
trimethyl orthoformate

: 944892-25-5
2-butyl-[1,3,4]oxadiazole

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

Reference yield:

: 624-24-8
methyl valerate

: 944892-25-5
2-butyl-[1,3,4]oxadiazole

Guidance literature:: Multi-step reaction with 2 steps

1: hydrazine hydrate / 28 h / Heating

2: p-toluenesulfonic acid monohydrate / 80 - 120 °C

With toluene-4-sulfonic acid; hydrazine hydrate;
DOI:10.1021/jm000410y

Reference yield: 42.0%

: 4-methyl-1-phenylpent-4-en-1-one O-(pentafluorobenzoyl ester)oxime

: 944892-25-5
2-butyl-[1,3,4]oxadiazole

: C₁₈H₂₃N₃O

Guidance literature:: With palladium diacetate; caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; N-ethyl-N,N-diisopropylamine; In dimethyl sulfoxide; at 120 ℃; for 8h; Inert atmosphere; Sealed tube;
DOI:10.1002/anie.201705641