5-(Nonyloxy)tryptamine

Base Information

• Chemical Name: 5-(Nonyloxy)tryptamine
• CAS No.: 157798-12-4
• Molecular Formula: C₁₉H₃₀N₂O
• Molecular Weight: 302.46
• UNII: TV6CHD9VPT
• DSSTox Substance ID: DTXSID4058653
• Nikkaji Number: J614.755K
• Wikipedia: 5-(Nonyloxy)tryptamine
• Wikidata: Q4639557
• Pharos Ligand ID: W889LF3WDH53
• Metabolomics Workbench ID: 63187
• ChEMBL ID: CHEMBL97450
• Mol file: 157798-12-4.mol

Synonyms:5-(nonyloxy)tryptamine

Chemical Property of 5-(Nonyloxy)tryptamine

Chemical Property:

• Vapor Pressure: 5.53E-09mmHg at 25°C
• Boiling Point: 469.4°C at 760 mmHg
• PKA: 16.84±0.30(Predicted)
• Flash Point: 237.7°C
• PSA: 125.64000
• Density: 1.027±0.06 g/cm3(Predicted)
• LogP: 4.65440
• Storage Temp.: −20°C
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 302.235813585
• Heavy Atom Count: 22
• Complexity: 285

Purity/Quality:

97% ^*data from raw suppliers

5-Nonyloxytryptamine oxalate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCOC1=CC2=C(C=C1)NC=C2CCN
• Uses: Nonyloxytryptamine mimics polysialic acid and modulates neuronal and glial functions in cell culture.?Nonyloxytryptamine is an agonist for 5-HT1Dβ Serotonin receptor. 5-Nonyloxytryptamine Oxalate is a selective 5-HT1B agonist.

Technology Process of 5-(Nonyloxy)tryptamine

There total 5 articles about 5-(Nonyloxy)tryptamine 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:

5-benzyloxytryptamine (20776-45-8) → 5-(Nonyloxy)tryptamine (157798-12-4)

Guidance literature:

Multi-step reaction with 4 steps

1: NaOAc

2: H₂ / Raney Ni

3: K₂CO₃

4: 2N HCl

With hydrogenchloride; hydrogen; sodium acetate; potassium carbonate; nickel;

Reference yield:

N‐{2‐[5‐(benzyloxy)‐1H‐indol‐3‐yl]ethyl}acetamide (68062-88-4) → 5-(Nonyloxy)tryptamine (157798-12-4)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂ / Raney Ni

2: K₂CO₃

3: 2N HCl

With hydrogenchloride; hydrogen; potassium carbonate; nickel;

Reference yield:

N-[2-(5-Nonyloxy-1H-indol-3-yl)-ethyl]-acetamide (176444-96-5) → 5-(Nonyloxy)tryptamine (157798-12-4)

Guidance literature:

With hydrogenchloride; Yield given;

upstream raw materials:

N-[2-(5-Nonyloxy-1H-indol-3-yl)-ethyl]-acetamide

5-benzyloxytryptamine

N‐{2‐[5‐(benzyloxy)‐1H‐indol‐3‐yl]ethyl}acetamide

N-acetyl-5-hydroxytryptamine

Refernces

• 1、 Glennon,Hong,Dukat,Teitler,Davis. "5-(Nonyloxy)tryptamine: A novel high-affinity 5-HTIDβ serotonin receptor agonist". . p. 2828 - 2830. Retrieved 2007/10/02.