Oxepinac

Base Information Edit

Chemical Name:Oxepinac
CAS No.:55689-65-1
Molecular Formula:C16H12 O4
Molecular Weight:268.269
Hs Code.:
UNII:PF3750D8AE
DSSTox Substance ID:DTXSID10204219
Nikkaji Number:J11.854K
Wikidata:Q27286511
NCI Thesaurus Code:C66260
Pharos Ligand ID:LZ839VJC8ML4
ChEMBL ID:CHEMBL312109
Mol file:55689-65-1.mol

Synonyms:6,7-dihydro-11-oxodibenz(b,e)oxepin-3-acetic acid;DD-3314;oxepinac;oxepinac monosodium salt

Suppliers and Price of Oxepinac

Supply Marketing:Edit

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
OXEPINAC 95.00%
5MG
$ 500.39

Total 3 raw suppliers

Chemical Property of Oxepinac Edit

Chemical Property:

Vapor Pressure:7.19E-12mmHg at 25°C
Melting Point:111°C
Refractive Index:1.4350 (estimate)
Boiling Point:525.5°C at 760 mmHg
Flash Point:202.6°C
PSA：63.60000
Density:1.349g/cm³
LogP:2.43710
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:268.07355886
Heavy Atom Count:20
Complexity:392

Purity/Quality:

99% ^*data from raw suppliers

OXEPINAC 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2=CC=CC=C2C(=O)C3=C(O1)C=C(C=C3)CC(=O)O

Technology Process of Oxepinac

There total 1 articles about Oxepinac 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:

: 55689-65-1
oxepinac

Guidance literature:: Saeure 36, P2O5 / EtOH;
DOI:10.1021/jm00229a017

Reference yield: 78.0%

: 55689-65-1
oxepinac

: 100-46-9
benzylamine

: N-benzyl-2-(11-oxo-6,11-dihydrodibenzo[b,e]oxepin-3-yl)acetamide

Guidance literature:: With 4-(2-(1,3-dioxa-3a1,8,10-triaza-2,3a,14b-triboradibenzo[fg,op]tetracen-2-yl)phenyl)benzo[c]pyrimido[4,5-e][1,2]azaborinin-6(5H)-ol; In fluorobenzene; at 85 ℃; for 20h; Molecular sieve;
DOI:10.1002/chem.201900715