5-Tert-butyl-1,2,4-oxadiazole-3-carboxylic acid

Base Information

Chemical Name:5-Tert-butyl-1,2,4-oxadiazole-3-carboxylic acid
CAS No.:748743-73-9
Molecular Formula:C₇H₁₀N₂O₃
Molecular Weight:170.168
Hs Code.:
DSSTox Substance ID:DTXSID20599901
Wikidata:Q82495864
Mol file:748743-73-9.mol

Synonyms:748743-73-9;5-TERT-BUTYL-1,2,4-OXADIAZOLE-3-CARBOXYLIC ACID;5-(tert-Butyl)-1,2,4-oxadiazole-3-carboxylic acid;1,2,4-Oxadiazole-3-carboxylicacid, 5-(1,1-dimethylethyl)-;SCHEMBL8965367;DTXSID20599901;FHJXCPARNFHMSZ-UHFFFAOYSA-N;AKOS012689281;DB-219609;CS-0112598;D77090;EN300-111462;1,2,4-oxadiazole-3-carboxylic acid,5-tert-butyl-;5-(tert-Butyl)-1,2,4-oxadiazole-3-carboxylicacid;5-tert-Butyl-[1,2,4]oxadiazole-3-carboxylic acid;Z1136435761;1,2,4-Oxadiazole-3-carboxylicacid,5-(1,1-dimethylethyl)-(9CI);5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid(Sodium salt form)

Suppliers and Price of 5-Tert-butyl-1,2,4-oxadiazole-3-carboxylic acid

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

Labseeker
5-tert-butyl-1,2,4-oxadiazole-3-carboxylicacid 95
5g
$ 769.00

American Custom Chemicals Corporation
5-TERT-BUTYL-1,2,4-OXADIAZOLE-3-CARBOXYLIC ACID 95.00%
5MG
$ 502.73

Total 5 raw suppliers

Chemical Property of 5-Tert-butyl-1,2,4-oxadiazole-3-carboxylic acid

Chemical Property:

Boiling Point:308.9±25.0 °C(Predicted)
PKA:2.93±0.10(Predicted)
PSA：76.22000
Density:1.234±0.06 g/cm3(Predicted)
LogP:1.06530
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:170.06914219
Heavy Atom Count:12
Complexity:188

Purity/Quality:

97% ^*data from raw suppliers

5-tert-butyl-1,2,4-oxadiazole-3-carboxylicacid 95 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1=NC(=NO1)C(=O)O

Technology Process of 5-Tert-butyl-1,2,4-oxadiazole-3-carboxylic acid

There total 2 articles about 5-Tert-butyl-1,2,4-oxadiazole-3-carboxylic acid 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: 89.0%

: 158154-63-3
ethyl 5-(tert-butyl)-1,2,4-oxadiazole-3-carboxylate

: 748743-73-9
5-(tert-butyl)-1,2,4-oxadiazole-3-carboxylic acid

Guidance literature:: With lithium hydroxide monohydrate; In methanol; at 20 ℃; for 2h;

Reference yield:

: ethyl (Z)-2-amino-2-((pivaloyloxy)imino)acetate

: 748743-73-9
5-(tert-butyl)-1,2,4-oxadiazole-3-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: acetic acid / 20 h / 120 °C

2: lithium hydroxide monohydrate / methanol / 2 h / 20 °C

With lithium hydroxide monohydrate; acetic acid; In methanol;

Reference yield:

: 748743-73-9
5-(tert-butyl)-1,2,4-oxadiazole-3-carboxylic acid

: 5-tert-butyl-N-{[2-fluoro-4-(3-{[(3R)-1-(prop-2-enoyl)pyrrolidin-3-yl]amino}-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]methyl}-1,2,4-oxadiazole-3-carboxamide

Guidance literature:: Multi-step reaction with 3 steps

1: benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide

2: trifluoroacetic acid / dichloromethane / 12 h / 57 °C

3: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 0.08 h

With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In dichloromethane; N,N-dimethyl-formamide;