3-[4-[(1,1-Dimethylethoxy)methyl]phenyl]-3-(trifluoromethyl)diaziridine

Base Information

Chemical Name:3-[4-[(1,1-Dimethylethoxy)methyl]phenyl]-3-(trifluoromethyl)diaziridine
CAS No.:87736-84-3
Molecular Formula:C₁₃H₁₇F₃N₂O
Molecular Weight:274.286
Hs Code.:
DSSTox Substance ID:DTXSID701151655

Synonyms:87736-84-3;DTXSID701151655;3-[4-[(1,1-Dimethylethoxy)methyl]phenyl]-3-(trifluoromethyl)diaziridine

Suppliers and Price of 3-[4-[(1,1-Dimethylethoxy)methyl]phenyl]-3-(trifluoromethyl)diaziridine

Supply Marketing:

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

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Chemical Property of 3-[4-[(1,1-Dimethylethoxy)methyl]phenyl]-3-(trifluoromethyl)diaziridine

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:274.12929766
Heavy Atom Count:19
Complexity:313

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)OCC1=CC=C(C=C1)C2(NN2)C(F)(F)F

Technology Process of 3-[4-[(1,1-Dimethylethoxy)methyl]phenyl]-3-(trifluoromethyl)diaziridine

There total 6 articles about 3-[4-[(1,1-Dimethylethoxy)methyl]phenyl]-3-(trifluoromethyl)diaziridine 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: 80.0%

: 87736-81-0
1-<(4-tert-butoxymethyl)phenyl>-2,2,2-trifluoro-1-ethanone O-(p-tolylsulfonyl)oxime

: 87736-84-3
3-<(4-tert-butoxymethyl)phenyl>-3-trifluoromethyldiaziridine

Guidance literature:: With ammonia; In diethyl ether; for 12h; Ambient temperature;

Reference yield:

: 873-75-6
4-bromobenzenemethanol

: 87736-84-3
3-<(4-tert-butoxymethyl)phenyl>-3-trifluoromethyldiaziridine

Guidance literature:: Multi-step reaction with 5 steps

1: 54 percent / conc. H₂SO₄ / CH₂Cl₂

2: 1) n-BuLi / 1) hexane, ether, -30 to 0 deg C in 2 h, 2) ether, -50 deg C, 3 h

3: 57 percent / NH₃OHCl, NaOH / ethanol / 16 h / Heating

4: 87 percent / pyridine / 3 h / Heating

5: 80 percent / NH₃ / diethyl ether / 12 h / Ambient temperature

With sodium hydroxide; n-butyllithium; hydroxylamine hydrochloride; ammonia; sulfuric acid; In pyridine; diethyl ether; ethanol; dichloromethane;

Reference yield:

: 22807-80-3
1-bromo-4-(tert-butoxymethyl)benzene

: 87736-84-3
3-<(4-tert-butoxymethyl)phenyl>-3-trifluoromethyldiaziridine

Guidance literature:: Multi-step reaction with 4 steps

1: 1) n-BuLi / 1) hexane, ether, -30 to 0 deg C in 2 h, 2) ether, -50 deg C, 3 h

2: 57 percent / NH₃OHCl, NaOH / ethanol / 16 h / Heating

3: 87 percent / pyridine / 3 h / Heating

4: 80 percent / NH₃ / diethyl ether / 12 h / Ambient temperature

With sodium hydroxide; n-butyllithium; hydroxylamine hydrochloride; ammonia; In pyridine; diethyl ether; ethanol;