V2X3ZY96W5

Base Information

• Chemical Name: V2X3ZY96W5
• CAS No.: 117523-46-3
• Molecular Formula: C₂₄H₂₄N₄O₂S
• Molecular Weight: 432.546
• UNII: V2X3ZY96W5
• Nikkaji Number: J924.563D
• ChEMBL ID: CHEMBL162700
• Mol file: 117523-46-3.mol

Synonyms:OHM-3507;V2X3ZY96W5;UNII-V2X3ZY96W5;CHEMBL162700;3-Furancarboxamide, N-2,1,3-benzothiadiazol-4-yl-N-(1-(2-phenylethyl)-4-piperidinyl)-;N-2,1,3-Benzothiadiazol-4-yl-N-(1-(2-phenylethyl)-4-piperidinyl)-3-furancarboxamide;117523-46-3;2,1,3-Benzothiadiazole, 3-furancarboxamide deriv.;SCHEMBL10466913;BDBM50017406;L002143;Furan-3-carboxylic acid benzo[1,2,5]thiadiazol-4-yl-(1-phenethyl-piperidin-4-yl)-amide

Chemical Property of V2X3ZY96W5

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 432.16199719
• Heavy Atom Count: 31
• Complexity: 594

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CN(CCC1N(C2=CC=CC3=NSN=C32)C(=O)C4=COC=C4)CCC5=CC=CC=C5

Technology Process of V2X3ZY96W5

There total 5 articles about V2X3ZY96W5 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: 69.0%

furan-3-carbonyl chloride (26214-65-3) + 1-phenethyl-4-piperidine (117523-90-7) → Furan-3-carboxylic acid benzo[1,2,5]thiadiazol-4-yl-(1-phenethyl-piperidin-4-yl)-amide (117523-46-3)

Guidance literature:

With triethylamine; In toluene; for 0.5h; Ambient temperature;

DOI:10.1021/jm00123a028

Reference yield:

3-Furoic acid (488-93-7) → Furan-3-carboxylic acid benzo[1,2,5]thiadiazol-4-yl-(1-phenethyl-piperidin-4-yl)-amide (117523-46-3)

Guidance literature:

Multi-step reaction with 2 steps

1: oxalyl chloride, DMF / CH₂Cl₂ / 44 h / Ambient temperature

2: 69 percent / Et₃N / toluene / 0.5 h / Ambient temperature

With oxalyl dichloride; triethylamine; N,N-dimethyl-formamide; In dichloromethane; toluene;

DOI:10.1021/jm00123a028

Reference yield:

1-(2-phenylethyl)-4-piperidinone (39742-60-4) → Furan-3-carboxylic acid benzo[1,2,5]thiadiazol-4-yl-(1-phenethyl-piperidin-4-yl)-amide (117523-46-3)

Guidance literature:

Multi-step reaction with 3 steps

1: p-toluenesulfonic acid / toluene / 96 h / Heating

2: NaBH₄ / methanol / 2 h / Heating

3: 69 percent / Et₃N / toluene / 0.5 h / Ambient temperature

With sodium tetrahydroborate; toluene-4-sulfonic acid; triethylamine; In methanol; toluene;

DOI:10.1021/jm00123a028

upstream raw materials:

furan-3-carbonyl chloride

1-phenethyl-4-piperidine

3-Furoic acid

1-(2-phenylethyl)-4-piperidinone