2-(2-(p-Chlorophenyl)ethenyl)-4,4-dimethyl-2-oxazoline

Base Information

• Chemical Name: 2-(2-(p-Chlorophenyl)ethenyl)-4,4-dimethyl-2-oxazoline
• CAS No.: 1751-77-5
• Molecular Formula: C13H14ClNO
• Molecular Weight: 235.7094
• Nikkaji Number: J1.647.574B
• Wikidata: Q76386612

Synonyms:P-1581;2-(2-(p-Chlorophenyl)ethenyl)-4,4-dimethyl-2-oxazoline;2-(2-(4-Chlorophenyl)ethenyl)-4,4-dimethyl-4,5-dihydrooxazole;Oxazole, 4,5-dihydro-2-(2-(4-chlorophenyl)ethenyl)-4,4-dimethyl-;C13H14ClNO;1751-77-5;LS-100130;2-[(E)-4-Chlorostyryl]-4,4-dimethyl-2-oxazoline

Chemical Property of 2-(2-(p-Chlorophenyl)ethenyl)-4,4-dimethyl-2-oxazoline

Chemical Property:

• Vapor Pressure: 0.00148mmHg at 25°C
• Boiling Point: 305.5°Cat760mmHg
• Flash Point: 138.5°C
• Density: 1.12g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 235.0763918
• Heavy Atom Count: 16
• Complexity: 301

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(COC(=N1)C=CC2=CC=C(C=C2)Cl)C
• Isomeric SMILES: CC1(COC(=N1)/C=C/C2=CC=C(C=C2)Cl)C

Technology Process of 2-(2-(p-Chlorophenyl)ethenyl)-4,4-dimethyl-2-oxazoline

There total 5 articles about 2-(2-(p-Chlorophenyl)ethenyl)-4,4-dimethyl-2-oxazoline 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: 70.0%

2,4,4-trimethyl oxazoline (1772-43-6) + (Z)?N?(tert?butyl)?1?(4?chlorophenyl)methanimine oxide (40117-30-4,137957-45-0) → (E)-4,4-dimethyl-2-[2-(4-chlorophenyl)ethenyl]-4,5-dihydro-1,3-oxazole (1751-77-5)

Guidance literature:

2,4,4-trimethyl oxazoline; With lithium diisopropyl amide; In tetrahydrofuran; at -98 ℃; for 0.333333h;

(Z)?N?(tert?butyl)?1?(4?chlorophenyl)methanimine oxide; In tetrahydrofuran; at -98 - 20 ℃;

DOI:10.1016/S0040-4039(01)02025-1

Reference yield: 70.0%

(Z)?N?(tert?butyl)?1?(4?chlorophenyl)methanimine oxide (40117-30-4,137957-45-0) + 2-(lithiomethyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole → (E)-4,4-dimethyl-2-[2-(4-chlorophenyl)ethenyl]-4,5-dihydro-1,3-oxazole (1751-77-5)

Guidance literature:

In tetrahydrofuran; at -98 ℃; for 18h;

DOI:10.1002/1099-0690(200209)2002:17<2961::AID-EJOC2961>3.0.CO;2-F

Reference yield:

(Z)?N?(tert?butyl)?1?(4?chlorophenyl)methanimine oxide (40117-30-4,137957-45-0) + 2-chloromethyl-4,4-dimethyl-4,5-dihydro-1,3-oxazole (74307-97-4) → (E)-4,4-dimethyl-2-[2-(4-chlorophenyl)ethenyl]-4,5-dihydro-1,3-oxazole (1751-77-5) + (Z)-2-[2-(4-chlorophenyl)vinyl]-4,4-dimethyl-4,5-dihydro-1,3-oxazole (412268-51-0)

Guidance literature:

With lithium diisopropyl amide; In tetrahydrofuran; at -98 ℃;

DOI:10.1016/S0040-4039(01)02025-1

upstream raw materials:

2,4,4-trimethyl oxazoline

(Z)?N?(tert?butyl)?1?(4?chlorophenyl)methanimine oxide

2-chloromethyl-4,4-dimethyl-4,5-dihydro-1,3-oxazole

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