5,5-Dimethyl-2-phenyl-1-pyrroline-N-oxide

Base Information

Chemical Name:5,5-Dimethyl-2-phenyl-1-pyrroline-N-oxide
CAS No.:58134-17-1
Molecular Formula:C12H15 N O
Molecular Weight:189.257
Hs Code.:
DSSTox Substance ID:DTXSID20206860
Nikkaji Number:J435.850C
Wikidata:Q83080716
Mol file:58134-17-1.mol

Synonyms:2-phenyl-DMPO;5,5-dimethyl-2-phenyl-1-pyrroline-N-oxide

Suppliers and Price of 5,5-Dimethyl-2-phenyl-1-pyrroline-N-oxide

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 3 raw suppliers

Chemical Property of 5,5-Dimethyl-2-phenyl-1-pyrroline-N-oxide

Chemical Property:

Vapor Pressure:0.00143mmHg at 25°C
Melting Point:101-102 °C(Solv: ligroine (8032-32-4))
Boiling Point:306°Cat760mmHg
PKA:2.49±0.40(Predicted)
Flash Point:134.1°C
PSA：28.75000
Density:1.05g/cm³
LogP:2.51720
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:189.115364102
Heavy Atom Count:14
Complexity:249

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CCC(=[N+]1[O-])C2=CC=CC=C2)C

Technology Process of 5,5-Dimethyl-2-phenyl-1-pyrroline-N-oxide

There total 7 articles about 5,5-Dimethyl-2-phenyl-1-pyrroline-N-oxide 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: 87.0%

: 1024596-42-6
4-methyl-1-phenylpent-4-en-1-one oxime

: 58134-17-1
2,2-dimethyl-5-phenyl-3,4-dihydro-2H-pyrrole 1-oxide

Guidance literature:: With copper diacetate; diphenyl acetylene; sodium t-butanolate; tert-butyl alcohol; 1,2-bis-(dicyclohexylphosphino)ethane; In toluene; at 80 ℃; Inert atmosphere; Glovebox;
DOI:10.1002/chem.201902683

Reference yield:

: 97344-88-2
isopentenylmagnesium bromide

: 58134-17-1
2,2-dimethyl-5-phenyl-3,4-dihydro-2H-pyrrole 1-oxide

Guidance literature:: Multi-step reaction with 4 steps

1: 0 - 30 °C / Inert atmosphere

2: Dess-Martin periodane; sodium hydrogencarbonate / dichloromethane / 30 °C / Inert atmosphere

3: hydroxylamine hydrochloride; sodium acetate / methanol / 78 °C / Inert atmosphere

4: copper diacetate; sodium t-butanolate; 1,2-bis-(dicyclohexylphosphino)ethane; tert-butyl alcohol; diphenyl acetylene / toluene / 80 °C / Inert atmosphere; Glovebox

With hydroxylamine hydrochloride; copper diacetate; sodium acetate; sodium hydrogencarbonate; Dess-Martin periodane; diphenyl acetylene; sodium t-butanolate; tert-butyl alcohol; 1,2-bis-(dicyclohexylphosphino)ethane; In methanol; dichloromethane; toluene;
DOI:10.1002/chem.201902683

Reference yield:

: 1078-36-0
4-methyl-1-phenyl-4-pentene-1-one

: 58134-17-1
2,2-dimethyl-5-phenyl-3,4-dihydro-2H-pyrrole 1-oxide

Guidance literature:: Multi-step reaction with 2 steps

1: hydroxylamine hydrochloride; sodium acetate / methanol / 78 °C / Inert atmosphere

2: copper diacetate; sodium t-butanolate; 1,2-bis-(dicyclohexylphosphino)ethane; tert-butyl alcohol; diphenyl acetylene / toluene / 80 °C / Inert atmosphere; Glovebox

With hydroxylamine hydrochloride; copper diacetate; sodium acetate; diphenyl acetylene; sodium t-butanolate; tert-butyl alcohol; 1,2-bis-(dicyclohexylphosphino)ethane; In methanol; toluene;
DOI:10.1002/chem.201902683