1-Cyclohexene-1-carboxylic acid, 2-((5-phenyl-1,3,4-thiadiazol-2-yl)amino)-

Base Information

• Chemical Name: 1-Cyclohexene-1-carboxylic acid, 2-((5-phenyl-1,3,4-thiadiazol-2-yl)amino)-
• CAS No.: 160893-97-0
• Molecular Formula: C₁₅H₁₅N₃O₂S
• Molecular Weight: 301.369
• DSSTox Substance ID: DTXSID90167030
• Wikidata: Q83036344
• Mol file: 160893-97-0.mol

Synonyms:1-Cyclohexene-1-carboxylic acid, 2-((5-phenyl-1,3,4-thiadiazol-2-yl)amino)-;2-((5-Phenyl-1,3,4-thiadiazol-2-yl)amino)-1-cyclohexene-1-carboxylic acid;160893-97-0;DTXSID90167030;LS-57456

Chemical Property of 1-Cyclohexene-1-carboxylic acid, 2-((5-phenyl-1,3,4-thiadiazol-2-yl)amino)-

Chemical Property:

• Vapor Pressure: 9.3E-11mmHg at 25°C
• Boiling Point: 498.5°C at 760 mmHg
• Flash Point: 255.3°C
• Density: 1.407g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 301.08849790
• Heavy Atom Count: 21
• Complexity: 421

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=C(C1)C(=O)O)NC2=NN=C(S2)C3=CC=CC=C3

Technology Process of 1-Cyclohexene-1-carboxylic acid, 2-((5-phenyl-1,3,4-thiadiazol-2-yl)amino)-

There total 1 articles about 1-Cyclohexene-1-carboxylic acid, 2-((5-phenyl-1,3,4-thiadiazol-2-yl)amino)- 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: 25.0%

2-phenyl-6,7,8,9-tetrahydro-5H-1,3,4-thiadiazolo<2,3-b>quinazolin-5-one (116805-50-6) → 2-(5-Phenyl-[1,3,4]thiadiazol-2-ylamino)-cyclohex-1-enecarboxylic acid (160893-97-0)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; ethanol; for 2h; Heating;

Reference yield:

2-(5-Phenyl-[1,3,4]thiadiazol-2-ylamino)-cyclohex-1-enecarboxylic acid (160893-97-0) → 2-phenyl-6,7,8,9-tetrahydro-5H-1,3,4-thiadiazolo<2,3-b>quinazolin-5-one (116805-50-6)

Guidance literature:

With trichlorophosphate; In benzene; for 2h; Heating;

Reference yield:

2-(5-Phenyl-[1,3,4]thiadiazol-2-ylamino)-cyclohex-1-enecarboxylic acid (160893-97-0) → 2-phenyl-6,7,8,9-tetrahydro-5H-1,3,4-thiadiazolo<2,3-b>quinazolin-5-thione (160893-93-6)

Guidance literature:

Multi-step reaction with 2 steps

1: POCl₃ / benzene / 2 h / Heating

2: 75 percent / Lawesson's reagent / toluene / 3 h / 120 °C

With Lawessons reagent; trichlorophosphate; In toluene; benzene;

upstream raw materials:

2-phenyl-6,7,8,9-tetrahydro-5H-1,3,4-thiadiazolo<2,3-b>quinazolin-5-one

Downstream raw materials:

2-phenyl-6,7,8,9-tetrahydro-5H-1,3,4-thiadiazolo<2,3-b>quinazolin-5-one

2-phenyl-6,7,8,9-tetrahydro-5H-1,3,4-thiadiazolo<2,3-b>quinazolin-5-thione