4-(3-((4-(2-Methyl-1H-imidazol-1-yl)phenyl)sulfanyl)phenyl)tetrahydro-2H-pyran-4-carboxamide

Base Information

• Chemical Name: 4-(3-((4-(2-Methyl-1H-imidazol-1-yl)phenyl)sulfanyl)phenyl)tetrahydro-2H-pyran-4-carboxamide
• CAS No.: 179420-17-8
• Molecular Formula: C22H23N3O2S
• Molecular Weight: 393.51
• UNII: 5275PJ1C59
• DSSTox Substance ID: DTXSID7047273
• Nikkaji Number: J2.201.727F
• Wikidata: Q27076088
• Pharos Ligand ID: DPSBB83QH8A1
• ChEMBL ID: CHEMBL195309

Synonyms:CJ 13610;CJ-13,610

Chemical Property of 4-(3-((4-(2-Methyl-1H-imidazol-1-yl)phenyl)sulfanyl)phenyl)tetrahydro-2H-pyran-4-carboxamide

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 393.15109816
• Heavy Atom Count: 28
• Complexity: 532

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=CN1C2=CC=C(C=C2)SC3=CC=CC(=C3)C4(CCOCC4)C(=O)N

Technology Process of 4-(3-((4-(2-Methyl-1H-imidazol-1-yl)phenyl)sulfanyl)phenyl)tetrahydro-2H-pyran-4-carboxamide

There total 21 articles about 4-(3-((4-(2-Methyl-1H-imidazol-1-yl)phenyl)sulfanyl)phenyl)tetrahydro-2H-pyran-4-carboxamide 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: 99.0%

tetrahydro-4-[3-(4-fluorophenyl)-thio]phenyl-2H-pyran-4-carboxamide (329025-21-0) + 2-methylimidazole (693-98-1) → 4-[3-[4-(2-methylimidazol-1-yl)phenylthio]phenyl]-3,4,5,6-tetrahydro-2H-pyran-4-carboxamide (179420-17-8)

Guidance literature:

With sodium hydroxide; CsCO₃; In dimethyl sulfoxide; at 125 - 130 ℃; for 17 - 24h;

Reference yield: 96.0%

4-{3-[4-(2-methyl-1H-imidazol-1-yl)phenylthio]phenyl}-3,4,5,6-tetrahydro-2H-pyran-4-carboxylic acid (179420-54-3) + oxalyl dichloride (79-37-8) → 4-[3-[4-(2-methylimidazol-1-yl)phenylthio]phenyl]-3,4,5,6-tetrahydro-2H-pyran-4-carboxamide (179420-17-8)

Guidance literature:

With ammonium hydroxide;

Reference yield: 55.0%

4-cyano-4-{3-[4-(2-methyl-1H-imidazol-1-yl)phenylthio]}phenyl-3,4,5,6-tetrahydro-2H-pyran (278183-73-6) → 4-[3-[4-(2-methylimidazol-1-yl)phenylthio]phenyl]-3,4,5,6-tetrahydro-2H-pyran-4-carboxamide (179420-17-8)

Guidance literature:

With potassium hydroxide; In water; tert-butyl alcohol;

upstream raw materials:

4-cyano-4-{3-[4-(2-methyl-1H-imidazol-1-yl)phenylthio]}phenyl-3,4,5,6-tetrahydro-2H-pyran

4-cyano-4-(3-iodophenyl)-3,4,5,6-tetrahydro-2H-pyran

methyl 4-(3-mercaptophenyl)-3,4,5,6-tetrahydro-2H-pyran-4-carboxylate

ethyl 4-(3-bromophenyl)-3,4,5,6-tetrahydro-2H-pyran-4-carboxylic acid

Downstream raw materials:

CP-680179

[4-[3-[4-(2-Methylimidazol-1-yl)phenylthio]phenyl]-3,4,5,6-tetrahydro2H-pyran-4yl]methanol

4-[3-[4(2-Methylimidazol-1-yl)phenylthio]phenyl]-3,4,5,6-tetrahydro-2H-pyran-4-carbaldehyde

methyl 4-[3-[4-(2-methylimidazol-1-yl)phenylthio]phenyl]-3,4,5,6-tetrahydro-2H-pyran-4-carboxylate

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