(5-(4-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone

Base Information

• Chemical Name: (5-(4-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone
• CAS No.: 914458-39-2
• Molecular Formula: C₂₆H₂₄FNO
• Molecular Weight: 385.481
• Hs Code.: 2933990090
• UNII: NER93KF8CN
• DSSTox Substance ID: DTXSID20658825
• Wikidata: Q82575182
• Pharos Ligand ID: XKTNXNC6WM5B
• ChEMBL ID: CHEMBL374292
• Mol file: 914458-39-2.mol

Synonyms:(5-(4-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone;914458-39-2;JWH-308;[5-(4-fluorophenyl)-1-pentylpyrrol-3-yl]-naphthalen-1-ylmethanone;CHEMBL374292;[5-(4-Fluorophenyl)-1-pentyl-1H-pyrrol-3-yl](naphthalen-1-yl)methanone;NER93KF8CN;D0Q9FB;DTXSID20658825;BDBM50192602;MFCD22421650;AKOS015999107;SY273451;A860382;[5-(4-Fluorophenyl)-1-pentyl-3-pyrrolyl](1-naphthyl)methanone;(5-(4-Fluorophenyl)-1-pentyl-pyrrol-3-yl)-naphthalen-1-yl-methanone;[5-(4-Fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenylmethanone;Methanone, [5-(4-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-

Chemical Property of (5-(4-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone

Chemical Property:

• PSA: 22.00000
• LogP: 6.86860
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 385.18419255
• Heavy Atom Count: 29
• Complexity: 529

Purity/Quality:

97% ^*data from raw suppliers

(5-(4-Fluorophenyl)-1-pentyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCN1C=C(C=C1C2=CC=C(C=C2)F)C(=O)C3=CC=CC4=CC=CC=C43

Technology Process of (5-(4-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone

There total 2 articles about (5-(4-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone 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:

JWH 030 (162934-73-8) → JWH-308 (914458-39-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / 1,3-dibromo-5,5-dimethylhydantoin / tetrahydrofuran / -78 °C

2: Pd(OAc)2; tri(o-tolyl)phosphane; K₂CO₃ / (C₄H₉)4NBr / toluene; H₂O / Heating

With palladium diacetate; 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; potassium carbonate; tris-(o-tolyl)phosphine; tetrabutylammomium bromide; In tetrahydrofuran; water; toluene; 2: Suzuki coupling;

DOI:10.1016/j.bmcl.2006.07.051

Reference yield:

2-bromo-4-(1-naphthoyl)-1-pentylpyrrole (914458-53-0) + 4-fluoroboronic acid (1765-93-1) → JWH-308 (914458-39-2)

Guidance literature:

With palladium diacetate; potassium carbonate; tris-(o-tolyl)phosphine; tetrabutylammomium bromide; In water; toluene; Heating;

DOI:10.1016/j.bmcl.2006.07.051

upstream raw materials:

2-bromo-4-(1-naphthoyl)-1-pentylpyrrole

4-fluoroboronic acid

JWH 030

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