BENZONITRILE, o-(2-OXAZOLO(5,4-b)PYRIDINYL)-

Base Information

Chemical Name:BENZONITRILE, o-(2-OXAZOLO(5,4-b)PYRIDINYL)-
CAS No.:52333-97-8
Molecular Formula:C₁₃H₇N₃O
Molecular Weight:221.218
Hs Code.:2934999090
DSSTox Substance ID:DTXSID40200360
Nikkaji Number:J87.872C
Wikidata:Q83073454
ChEMBL ID:CHEMBL3244998
Mol file:52333-97-8.mol

Synonyms:52333-97-8;BENZONITRILE, o-(2-OXAZOLO(5,4-b)PYRIDINYL)-;II-19;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)benzonitrile;BRN 1078628;o-(2-Oxazolo(5,4-b)pyridinyl)benzonitrile;C13H7N3O;CHEMBL3244998;SCHEMBL11643048;DTXSID40200360;XBXRFKHLHRVQBL-UHFFFAOYSA-N;LS-38770;FT-0741285;Benzonitrile, 2-oxazolo[5,4-b]pyridin-2-yl-

Suppliers and Price of BENZONITRILE, o-(2-OXAZOLO(5,4-b)PYRIDINYL)-

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

Total 4 raw suppliers

Chemical Property of BENZONITRILE, o-(2-OXAZOLO(5,4-b)PYRIDINYL)-

Chemical Property:

Vapor Pressure:2.28E-06mmHg at 25°C
Boiling Point:392.5°C at 760 mmHg
Flash Point:191.2°C
PSA：62.71000
Density:1.36g/cm³
LogP:2.76148
XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:221.058911855
Heavy Atom Count:17
Complexity:324

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C(=C1)C#N)C2=NC3=C(O2)N=CC=C3

Technology Process of BENZONITRILE, o-(2-OXAZOLO(5,4-b)PYRIDINYL)-

There total 3 articles about BENZONITRILE, o-(2-OXAZOLO(5,4-b)PYRIDINYL)- 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:

: 67588-15-2
3-(2'-bromobenzoyl)aminopyrid-2-one

: 52333-97-8
2-oxazolo[5,4-b]pyridin-2-yl-benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: POCl₃

2: 1-methyl-pyrrolidin-2-one

With 1-methyl-pyrrolidin-2-one; trichlorophosphate;
DOI:10.1021/jm00209a014