neo-Saxitoxin

Base Information

• Chemical Name: neo-Saxitoxin
• CAS No.: 64296-20-4
• Molecular Formula: C10H17 N7 O5
• Molecular Weight: 317.305
• European Community (EC) Number: 809-831-0
• Wikipedia: Neosaxitoxin
• Mol file: 64296-20-4.mol

Synonyms:neo-Saxitoxin;64296-20-4

Chemical Property of neo-Saxitoxin

Chemical Property:

• Vapor Pressure: 1.12E-21mmHg at 25°C
• Boiling Point: 684.3°C at 760 mmHg
• PKA: 6.52±0.60(Predicted)
• Flash Point: 367.6°C
• PSA: 192.24000
• Density: 2.32g/cm³
• LogP: -2.08440
• Storage Temp.: −20°C
• XLogP3: -4.3
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 315.12911667
• Heavy Atom Count: 22
• Complexity: 566

Purity/Quality:

99% ^*data from raw suppliers

Neosaxitoxin solution 20 μg/g in hydrochloric acid, certified reference material, TraceCERT ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+
• Statements: 26/27/28
• Safety Statements: 36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN2C(=N)N(C(C3C2(C1(O)O)NC(=N3)N)COC(=O)N)O

Technology Process of neo-Saxitoxin

There total 3 articles about neo-Saxitoxin 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:

11β-hydroxyneosaxitoxin (64296-26-0) → saxitoxin hydrate (35523-89-8) + neosaxitoxin (64296-20-4) + 11β-hydroxysaxitoxin sulfate (60537-65-7)

Guidance literature:

With hydrogenchloride; zinc; Ambient temperature;

DOI:10.1039/c39810000314

Reference yield:

11α-hydroxyneosaxitoxin sulfate (60748-39-2) → neosaxitoxin (64296-20-4) + 11α-hydroxysaxitoxin (60508-89-6)

Guidance literature:

With hydrogenchloride; zinc; Ambient temperature;

DOI:10.1039/c39810000314

Reference yield:

isocyanate de chlorosulfonyle (1189-71-5) + decarbamoyl saxitoxin → toxin B2 (82810-44-4) + neosaxitoxin (64296-20-4)

Guidance literature:

In formic acid; at 0 ℃; rapid quenching with cold, aqueous NH₄Ac;

DOI:10.1016/S0040-4039(00)87312-8

upstream raw materials:

isocyanate de chlorosulfonyle

11α-hydroxyneosaxitoxin sulfate

11β-hydroxyneosaxitoxin

Refernces

• 1、 Shimizu, Yuzuru,Hsu, Chien P.. "Confirmation of the Structures of Gonyautoxins I - IV by Correlation with Saxitoxin". . p. 314 - 315. Retrieved 2007/10/02.