1-Hexyl-3-(1-naphthoyl)pyrrole

Base Information

• Chemical Name: 1-Hexyl-3-(1-naphthoyl)pyrrole
• CAS No.: 162934-74-9
• Molecular Formula: C₂₁H₂₃NO
• Molecular Weight: 305.42
• DSSTox Substance ID: DTXSID40433914
• Wikidata: Q82248188
• Mol file: 162934-74-9.mol

Synonyms:1-Hexyl-3-(1-naphthoyl)pyrrole;162934-74-9;(1-hexylpyrrol-3-yl)-naphthalen-1-ylmethanone;JWH 031;BDBM85796;DTXSID40433914;JWH-031;QTWPXDHMBKIWDK-UHFFFAOYSA-N;CAS_162934-74-9;FT-0669205;(1-Hexyl-1H-pyrrol-3-yl)-1-naphthalenylmethanone

Chemical Property of 1-Hexyl-3-(1-naphthoyl)pyrrole

Chemical Property:

• Boiling Point: 466.9±18.0 °C(Predicted)
• PKA: -5.94±0.70(Predicted)
• PSA: 22.00000
• Density: 1.04±0.1 g/cm3(Predicted)
• LogP: 5.45260
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 305.177964357
• Heavy Atom Count: 23
• Complexity: 380

Purity/Quality:

95% ^*data from raw suppliers

JWH 031 ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCN1C=CC(=C1)C(=O)C2=CC=CC3=CC=CC=C32
• Description: JWH 031 is a synthetic cannabinoid (CB) with a relatively low binding affinity for the central CB1 receptor (Ki = 399 nM). Despite its low affinity for CB1, this pyrrole-based cannabinoid is efficacious in reducing spontaneous activity and increasing antinociception in mice. This product is intended for forensic and research applications.
• Uses: A new class of cannabinoid compound.

Technology Process of 1-Hexyl-3-(1-naphthoyl)pyrrole

There total 1 articles about 1-Hexyl-3-(1-naphthoyl)pyrrole 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: 61.0%

1-bromo-hexane (111-25-1) + naphthalen-1-yl(1H-pyrrol-3-yl)methanone (162934-76-1) → (1-hexyl-1H-pyrrol-3-yl)-1-naphthalenylmethanone (162934-74-9)

Guidance literature:

With potassium hydride; In dimethyl sulfoxide; for 2h; Ambient temperature;

DOI:10.1016/0040-4039(95)00016-6

upstream raw materials:

1-bromo-hexane

naphthalen-1-yl(1H-pyrrol-3-yl)methanone

Refernces