Acetaldehyde, [3-nitro-5-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenoxy]-

Base Information

Chemical Name:Acetaldehyde, [3-nitro-5-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenoxy]-
CAS No.:212207-96-0
Molecular Formula:C10H6F3N3O4
Molecular Weight:289.171
Hs Code.:
DSSTox Substance ID:DTXSID60477815
Mol file:212207-96-0.mol

Synonyms:212207-96-0;Acetaldehyde, [3-nitro-5-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenoxy]-;[3-Nitro-5-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenoxy]acetaldehyde;2-[3-nitro-5-[3-(trifluoromethyl)diazirin-3-yl]phenoxy]acetaldehyde;2-(3-Nitro-5-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenoxy)acetaldehyde;2-{3-nitro-5-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenoxy}acetaldehyde;DTXSID60477815

Suppliers and Price of Acetaldehyde, [3-nitro-5-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenoxy]-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Total 1 raw suppliers

Chemical Property of Acetaldehyde, [3-nitro-5-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenoxy]-

Chemical Property:

PSA：96.84000
Density:1.65±0.1 g/cm3 (20 oC 760 Torr)
LogP:1.74780
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:289.03104017
Heavy Atom Count:20
Complexity:428

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(C=C(C=C1[N+](=O)[O-])OCC=O)C2(N=N2)C(F)(F)F

Technology Process of Acetaldehyde, [3-nitro-5-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenoxy]-

There total 13 articles about Acetaldehyde, [3-nitro-5-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenoxy]- 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: 74.0%

: 212208-07-6
3-[3-nitro-5-(prop-2-enyloxy)phenyl]-3-(trifluoromethyl)-3H-diazirine

: 212207-96-0
2-<5-nitro-3-(3-trifluoromethyl-1,2-diazirin-3-yl)phenoxy>ethanal

Guidance literature:: 3-[3-nitro-5-(prop-2-enyloxy)phenyl]-3-(trifluoromethyl)-3H-diazirine; With osmium(VIII) oxide; 4-methylmorpholine N-oxide; In water; acetone; at 20 ℃; for 3h;

With sodium periodate; at 20 ℃; for 24h;
DOI:10.1002/1521-3773(20020703)41:13<2293::AID-ANIE2293>3.0.CO;2-9

Reference yield:

: 3-[3-Nitro-5-(3-trifluoromethyl-3H-diazirin-3-yl)-phenoxy]-propane-1,2-diol

: 212207-96-0
2-<5-nitro-3-(3-trifluoromethyl-1,2-diazirin-3-yl)phenoxy>ethanal

Guidance literature:: With sodium periodate; silica gel; In dichloromethane; Yield given;
DOI:10.1021/ja9817186

Reference yield:

: 473912-39-9
3-(prop-2-enyloxy)-5-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzenamine

: 212207-96-0
2-<5-nitro-3-(3-trifluoromethyl-1,2-diazirin-3-yl)phenoxy>ethanal

Guidance literature:: Multi-step reaction with 2 steps

1.1: 80 percent / Zr(OtBu)4; tert-butyl hydroperoxide; molecular sieves 3 Angstroem / CH₂Cl₂ / 19 h / 20 °C

2.1: OsO₄; N-methylmorpholine-N-oxide / acetone; H₂O / 3 h / 20 °C

2.2: 74 percent / NaIO₄ on silica gel / 24 h / 20 °C

With tert.-butylhydroperoxide; osmium(VIII) oxide; 3 A molecular sieve; zirconium(IV) tert-butoxide; 4-methylmorpholine N-oxide; In dichloromethane; water; acetone;
DOI:10.1002/1521-3773(20020703)41:13<2293::AID-ANIE2293>3.0.CO;2-9