Neoline

Base Information

• Chemical Name: Neoline
• CAS No.: 466-26-2
• Molecular Formula: C₂₄H₃₉NO₆
• Molecular Weight: 437.577
• NSC Number: 15345
• DSSTox Substance ID: DTXSID90963610
• Wikidata: Q72513747
• Mol file: 466-26-2.mol

Synonyms:neoline

Chemical Property of Neoline

Chemical Property:

• Vapor Pressure: 8.84E-16mmHg at 25°C
• Melting Point: 159-161 deg
• Refractive Index: 1.602
• Boiling Point: 578.3 °C at 760 mmHg
• PKA: 13.32±0.70(Predicted)
• Flash Point: 303.5 °C
• PSA: 91.62000
• Density: 1.31 g/cm³
• LogP: 0.43990
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Sparingly), Methanol (Very Slightly)
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 437.27773796
• Heavy Atom Count: 31
• Complexity: 752

Purity/Quality:

98%Min ^*data from raw suppliers

Bullatine B ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6O)OC)O)OC)O)COC
• Uses: Bullatine B is an aconitine-type alkaloid which exhibits antiarrhythmic properties.

Technology Process of Neoline

There total 4 articles about Neoline 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:

neoline 14-O-α-L-arabinopyranoside → L-arabinose (5328-37-0) + neoline (466-26-2,60208-28-8,81037-25-4)

Guidance literature:

With hydrogenchloride; In water; acetonitrile; at 95 ℃; for 3h;

DOI:10.1016/j.cclet.2017.04.026

Reference yield:

neoline 14-O-β-L-arabinopyranoside → L-arabinose (5328-37-0) + neoline (466-26-2,60208-28-8,81037-25-4)

Guidance literature:

With hydrogenchloride; In water; acetonitrile; at 95 ℃; for 3h;

DOI:10.1016/j.cclet.2017.04.026

Reference yield:

neoline 14-O-α-L-arabinofuranoside → L-arabinose (5328-37-0) + neoline (466-26-2,60208-28-8,81037-25-4)

Guidance literature:

With hydrogenchloride; In water; acetonitrile; at 95 ℃; for 3h;

DOI:10.1016/j.cclet.2017.04.026

Downstream raw materials:

15-β-hydroxyneoline

15-α-ydroxyneoline

neoline 1-benzoate

14-benzoylneoline

Refernces