JWH 073 7-hydroxyindole metabolite

Base Information

• Chemical Name: JWH 073 7-hydroxyindole metabolite
• CAS No.: 1307803-49-1
• Molecular Formula: C23H21NO2
• Molecular Weight: 343.42
• DSSTox Substance ID: DTXSID501017728
• Pharos Ligand ID: 5CFM5BYSWWR5
• ChEMBL ID: CHEMBL2380417
• Mol file: 1307803-49-1.mol

Synonyms:JWH 073 7-hydroxyindole metabolite;1307803-49-1;(1-butyl-7-hydroxyindol-3-yl)-naphthalen-1-ylmethanone;CHEMBL2380417;SCHEMBL15112060;RERSSQCTZKUWMM-UHFFFAOYSA-N;BDBM239075;DTXSID501017728;US9416103, JWH-073-M4

Chemical Property of JWH 073 7-hydroxyindole metabolite

Chemical Property:

• Boiling Point: 572.7±30.0 °C(Predicted)
• PKA: 9.62±0.40(Predicted)
• PSA: 42.23000
• Density: 1.17±0.1 g/cm3(Predicted)
• LogP: 5.53120
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 343.157228913
• Heavy Atom Count: 26
• Complexity: 493

Purity/Quality:

99% ^*data from raw suppliers

JWH 073 7-hydroxyindole metabolite 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN1C=C(C2=C1C(=CC=C2)O)C(=O)C3=CC=CC4=CC=CC=C43

Technology Process of JWH 073 7-hydroxyindole metabolite

There total 3 articles about JWH 073 7-hydroxyindole metabolite 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: 70.0%

(1-butyl-7-methoxy-1H-indol-3-yl)(naphthalen-1-yl)methanone (1438278-51-3) → (1-butyl-7-hydroxy-1H-indol-3-yl)(naphthalen-1-yl)methanone (1307803-49-1)

Guidance literature:

With hydrogen bromide; In acetic acid; Reflux;

DOI:10.1016/j.bmcl.2014.10.097

Reference yield:

7-methoxy-1H-indole (3189-22-8) → (1-butyl-7-hydroxy-1H-indol-3-yl)(naphthalen-1-yl)methanone (1307803-49-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: potassium hydroxide / N,N-dimethyl-formamide / 1 h / 20 °C

1.2: 12 h / 50 °C

2.1: dimethylaluminum chloride / dichloromethane; hexane / 0.67 h / 0 °C / Inert atmosphere

2.2: 20 °C / Inert atmosphere

3.1: hydrogen bromide / acetic acid / Reflux

With hydrogen bromide; dimethylaluminum chloride; potassium hydroxide; In hexane; dichloromethane; acetic acid; N,N-dimethyl-formamide; 2.2: |Friedel-Crafts Acylation;

DOI:10.1016/j.bmcl.2014.10.097

Reference yield:

1-butyl-7-methoxy-1H-indole (1438278-43-3) → (1-butyl-7-hydroxy-1H-indol-3-yl)(naphthalen-1-yl)methanone (1307803-49-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: dimethylaluminum chloride / dichloromethane; hexane / 0.67 h / 0 °C / Inert atmosphere

1.2: 20 °C / Inert atmosphere

2.1: hydrogen bromide / acetic acid / Reflux

With hydrogen bromide; dimethylaluminum chloride; In hexane; dichloromethane; acetic acid; 1.2: |Friedel-Crafts Acylation;

DOI:10.1016/j.bmcl.2014.10.097

upstream raw materials:

(1-butyl-7-methoxy-1H-indol-3-yl)(naphthalen-1-yl)methanone

7-methoxy-1H-indole

1-butyl-7-methoxy-1H-indole

Refernces