3-[3-(Trifluoromethyl)-3H-diazirin-3-yl]6-methoxybenzoic acid methyl ester

Base Information

Chemical Name:3-[3-(Trifluoromethyl)-3H-diazirin-3-yl]6-methoxybenzoic acid methyl ester
CAS No.:154187-51-6
Molecular Formula:C₁₁H₉F₃N₂O₃
Molecular Weight:274.199
Hs Code.:
DSSTox Substance ID:DTXSID001167372
Nikkaji Number:J576.051H

Synonyms:DTXSID001167372;Methyl 2-methoxy-5-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoate;3-[3-(Trifluoromethyl)-3H-diazirin-3-yl]6-methoxybenzoic acid methyl ester;154187-51-6

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Chemical Property of 3-[3-(Trifluoromethyl)-3H-diazirin-3-yl]6-methoxybenzoic acid methyl ester

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:274.05652664
Heavy Atom Count:19
Complexity:391

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=C(C=C(C=C1)C2(N=N2)C(F)(F)F)C(=O)OC

Technology Process of 3-[3-(Trifluoromethyl)-3H-diazirin-3-yl]6-methoxybenzoic acid methyl ester

There total 1 articles about 3-[3-(Trifluoromethyl)-3H-diazirin-3-yl]6-methoxybenzoic acid methyl ester 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:

: 67-56-1
methanol

: 201230-82-2
carbon monoxide

: 891501-19-2
3-(4-Methoxyphenyl)-3-(trifluoromethyl)-3H-diazirine

: 154187-51-6
2-Methoxy-5-<3-(trifluoromethyl)-3H-diazirin-3-yl>benzoic acid methyl ester

Guidance literature:: With magnesium oxide; lithium chloride; palladium dichloride; thallium(III) trifluoroacetate; Yield given. Multistep reaction; 1.) TFA, r.t., 24 h, 2.) r.t.;
DOI:10.1021/jo00081a017

Reference yield: 73.0%

: 154187-51-6
2-Methoxy-5-<3-(trifluoromethyl)-3H-diazirin-3-yl>benzoic acid methyl ester

: 2-Hydroxy-5-<3-(trifluoromethyl)-3H-diazirin-3-yl>benzoic acid methyl ester

Guidance literature:: With boron tribromide; In pentane; at 0 ℃; for 0.5h;
DOI:10.1021/jo00081a017

Reference yield:

: 154187-51-6
2-Methoxy-5-<3-(trifluoromethyl)-3H-diazirin-3-yl>benzoic acid methyl ester

: 2-Hydroxy-3-iodo-5-<3-(trifluoromethyl)-3H-diazirin-3-yl>benzoic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 73 percent / BBr₃ / pentane / 0.5 h / 0 °C

2: 49 percent / NaI, chloramine T / methanol / Ambient temperature

With chloroamine-T; boron tribromide; sodium iodide; In methanol; pentane;
DOI:10.1021/jo00081a017