Benzonitrile, 2,4,6-trimethoxy-, N-oxide

Base Information

Chemical Name:Benzonitrile, 2,4,6-trimethoxy-, N-oxide
CAS No.:2904-59-8
Molecular Formula:C10H11 N O4
Molecular Weight:209.202
Hs Code.:
DSSTox Substance ID:DTXSID70183278
Nikkaji Number:J1.057.524I
Wikidata:Q83054017
Mol file:2904-59-8.mol

Synonyms:Benzonitrile, 2,4,6-trimethoxy-, N-oxide;2904-59-8;Benzonitrile,2,4,6-trimethoxy-N-oxide;SCHEMBL2722806;DTXSID70183278;2,4,6-trimethoxy-benzonitrile oxide;2,4,6-Trimethoxy-benzonitrile N-oxide

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

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Chemical Property of Benzonitrile, 2,4,6-trimethoxy-, N-oxide

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:1.13g/cm³
XLogP3:1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:209.06880783
Heavy Atom Count:15
Complexity:243

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC(=C(C(=C1)OC)C#[N+][O-])OC

Technology Process of Benzonitrile, 2,4,6-trimethoxy-, N-oxide

There total 6 articles about Benzonitrile, 2,4,6-trimethoxy-, 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: 68.0%

: 51903-38-9
2,4,6-trimethoxybenzaldehyde oxime

: 2904-59-8
2,4,6-trimethoxybenzonitrile N-oxide

Guidance literature:: With N-chloro-succinimide; at 20 ℃; for 1h;
DOI:10.1039/c4ob01627k

Reference yield:

: 2,4,6-trimethoxybenzaldoxime

: 2904-59-8
2,4,6-trimethoxybenzonitrile N-oxide

Guidance literature:: With pyridine; N-chloro-succinimide; In chloroform; at 20 ℃; for 2h;
DOI:10.1021/jm040782x

Reference yield:

: 830-79-5
2,4,6-trimethoxybenzaldehyde

: 2904-59-8
2,4,6-trimethoxybenzonitrile N-oxide

Guidance literature:: Multi-step reaction with 2 steps

1: sodium carbonate; hydroxylamine hydrochloride / water / 12 h / 20 °C / Inert atmosphere

2: N-chloro-succinimide / 1 h / 20 °C

With N-chloro-succinimide; hydroxylamine hydrochloride; sodium carbonate; In water;
DOI:10.1039/c4ob01627k