N-[2-(Cyclopent-1-en-1-yl)phenyl]-4-methylbenzene-1-sulfinamide

Base Information

• Chemical Name: N-[2-(Cyclopent-1-en-1-yl)phenyl]-4-methylbenzene-1-sulfinamide
• CAS No.: 138850-13-2
• Molecular Formula: C18H19NOS
• Molecular Weight: 297.421
• DSSTox Substance ID: DTXSID40577428
• Mol file: 138850-13-2.mol

Synonyms:138850-13-2;DTXSID40577428;N-[2-(Cyclopent-1-en-1-yl)phenyl]-4-methylbenzene-1-sulfinamide

Chemical Property of N-[2-(Cyclopent-1-en-1-yl)phenyl]-4-methylbenzene-1-sulfinamide

Chemical Property:

• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 297.11873540
• Heavy Atom Count: 21
• Complexity: 398

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)NC2=CC=CC=C2C3=CCCC3

Technology Process of N-[2-(Cyclopent-1-en-1-yl)phenyl]-4-methylbenzene-1-sulfinamide

There total 2 articles about N-[2-(Cyclopent-1-en-1-yl)phenyl]-4-methylbenzene-1-sulfinamide 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%

(+/-)-(6S*,6aS*,9aS*)-6a,8,9,9a-tetrahydro-6-(4-methylphenyl)-7H-cyclopenta-6λ4-benzo<1,2>thiazine 6-oxide (134970-89-1,135093-40-2,138921-57-0,138921-58-1) → 4-methyl-N-(2-(cyclopent-1-enyl)-phenyl)benzenesulfinamide (138850-13-2)

Guidance literature:

With potassium dimsylate; In tetrahydrofuran; at 69 ℃; for 0.283333h;

DOI:10.1016/S0040-4020(01)80999-6

Reference yield: 73.0%

(+/-)-(6S*,6aR*,9aR*)-6a,8,9,9a-tetrahydro-6-(4-methylphenyl)-7H-cyclopenta-6λ4-benzo<1,2>thiazine 6-oxide (134970-89-1,135093-40-2,138921-57-0,138921-58-1) → 4-methyl-N-(2-(cyclopent-1-enyl)-phenyl)benzenesulfinamide (138850-13-2)

Guidance literature:

With potassium dimsylate; In tetrahydrofuran; at 45 ℃; for 0.25h; Product distribution; Mechanism; other benzothiazines;

DOI:10.1016/S0040-4020(01)80999-6

Reference yield: 67.0%

4-methyl-N-(2-(cyclopent-1-enyl)-phenyl)benzenesulfinamide (138850-13-2) → ortho-(cyclopent-1-en-1-yl)aniline (138850-22-3)

Guidance literature:

With potassium hydroxide; In ethanol; at 87 ℃; for 1.5h;

DOI:10.1016/S0040-4020(01)80999-6

upstream raw materials:

(+/-)-(6S*,6aS*,9aS*)-6a,8,9,9a-tetrahydro-6-(4-methylphenyl)-7H-cyclopenta-6λ⁴-benzo<1,2>thiazine 6-oxide

(+/-)-(6S*,6aR*,9aR*)-6a,8,9,9a-tetrahydro-6-(4-methylphenyl)-7H-cyclopenta-6λ⁴-benzo<1,2>thiazine 6-oxide

Downstream raw materials:

ortho-(cyclopent-1-en-1-yl)aniline