3-(4-Methoxyphenyl)-2,2-dimethyl-2H-azirene

Base Information

• Chemical Name: 3-(4-Methoxyphenyl)-2,2-dimethyl-2H-azirene
• CAS No.: 61196-83-6
• Molecular Formula: C11H13NO
• Molecular Weight: 175.23
• DSSTox Substance ID: DTXSID20493859
• Nikkaji Number: J3.530.814H
• Wikidata: Q82340837

Synonyms:61196-83-6;3-(4-Methoxyphenyl)-2,2-dimethyl-2H-azirene;SCHEMBL11859716;DTXSID20493859

Chemical Property of 3-(4-Methoxyphenyl)-2,2-dimethyl-2H-azirene

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 175.099714038
• Heavy Atom Count: 13
• Complexity: 224

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(=N1)C2=CC=C(C=C2)OC)C

Technology Process of 3-(4-Methoxyphenyl)-2,2-dimethyl-2H-azirene

There total 2 articles about 3-(4-Methoxyphenyl)-2,2-dimethyl-2H-azirene 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: 85.0%

3-(4-methoxyphenyl)-4,4-dimethyl-isoxazol-5(4H)-one (1590412-47-7) → 3-(4-methoxyphenyl)-2,2-dimethyl-2H-azirine (61196-83-6)

Guidance literature:

With chlorobis(cyclooctene)-iridium(I) dimer; cyclopentyl methyl ether; at 100 ℃; for 20h; Schlenk technique;

DOI:10.1002/anie.201602241

Reference yield:

→ 3-(4-methoxyphenyl)-2,2-dimethyl-2H-azirine (61196-83-6)

Guidance literature:

4-Methoxy-isobutyrophenon-N,N'-dimethyl-hydrazon-methoiodid (20), Natriummethylat, in Propan-2-ol, Erwaermen;

DOI:10.1002/hlca.19770600302

Reference yield: 56.3%

3-(4-methoxyphenyl)-2,2-dimethyl-2H-azirine (61196-83-6) + 4-dimethylamino-benzaldehyde (100-10-7) → 5--4-(p-methoxyphenyl)-2,2-dimethyl-Δ3-1,3-oxazolin

Guidance literature:

In benzene; for 4h; Irradiation;

DOI:10.1002/hlca.19850680308

upstream raw materials:

3-(4-methoxyphenyl)-4,4-dimethyl-isoxazol-5(4H)-one

Downstream raw materials:

5-methoxy-4-(4-methoxy-phenyl)-2,2-dimethyl-5-trifluoromethyl-2,5-dihydro-oxazole

2-(p-Methoxyphenyl)-5,5-dimethyl-4-(4-pyridyl)-1-pyrrolin

4-[(3R,5S)-5-(4-Methoxy-phenyl)-2,2-dimethyl-pyrrolidin-3-yl]-pyridine; hydrochloride

(4R)-2-(p-Methoxyphenyl)-5,5-dimethyl-4-(4-pyridyl)-1-pyrrolin

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