Benzenamine, 2-[(3-phenyl-2-propynyl)thio]-

Base Information

• Chemical Name: Benzenamine, 2-[(3-phenyl-2-propynyl)thio]-
• CAS No.: 58461-96-4
• Molecular Formula: C15H13NS
• Molecular Weight: 239.341
• DSSTox Substance ID: DTXSID10483461
• Nikkaji Number: J1.309.191I
• Wikidata: Q82320812

Synonyms:Benzenamine, 2-[(3-phenyl-2-propynyl)thio]-;58461-96-4;DTXSID10483461;AKOS011625616

Chemical Property of Benzenamine, 2-[(3-phenyl-2-propynyl)thio]-

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 239.07687059
• Heavy Atom Count: 17
• Complexity: 282

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C#CCSC2=CC=CC=C2N

Technology Process of Benzenamine, 2-[(3-phenyl-2-propynyl)thio]-

There total 5 articles about Benzenamine, 2-[(3-phenyl-2-propynyl)thio]- 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: 73.0%

iodobenzene (591-50-4) + 3-(2-aminophenylthio)prop-1-yne (58432-15-8) → 3-(2-aminophenylthio)-1-phenylprop-1-yne (58461-96-4)

Guidance literature:

With copper(l) iodide; triethylamine; bis-triphenylphosphine-palladium(II) chloride; In acetonitrile; at 25 - 30 ℃; for 24h;

DOI:10.1021/ol990165g

Reference yield:

2-amino-benzenethiol (137-07-5) → 3-(2-aminophenylthio)-1-phenylprop-1-yne (58461-96-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: K₂CO₃ / acetone / 4 h / 20 °C

1.2: 74 percent / acetone / 15 h / Heating

2.1: 73 percent / CuI; Et₃N / PdCl₂(PPh₃)2 / acetonitrile / 24 h / 20 °C

With copper(l) iodide; potassium carbonate; triethylamine; bis-triphenylphosphine-palladium(II) chloride; In acetone; acetonitrile;

DOI:10.1021/jo001783+

Reference yield:

3-(o-nitrophenylthio)-1-phenyl-1-propyne (58432-13-6) → 3-(2-aminophenylthio)-1-phenylprop-1-yne (58461-96-4)

Guidance literature:

With iron; acetic acid;

upstream raw materials:

3-(o-nitrophenylthio)-1-phenyl-1-propyne

iodobenzene

3-(2-aminophenylthio)prop-1-yne

2-amino-benzenethiol

Downstream raw materials:

C₂₂H₁₆ClN₃O₂S

1-azido-2-(3-phenyl-prop-2-ynylsulfanyl)-benzene

4-methyl-N-[2-(3-phenyl-prop-2-ynylsulfanyl)-phenyl]-benzenesulfonamide

3-phenyl-4H-benzo[b][1,2,3]triazolo[1,5-d][1,4]thiazine

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