Lycobetaine chloride

Base Information

• Chemical Name: Lycobetaine chloride
• CAS No.: 2121-16-6
• Molecular Formula: C₁₆H₁₂NO₃*Cl
• Molecular Weight: 301.729
• NSC Number: 338259,264064
• DSSTox Substance ID: DTXSID00417699
• ChEMBL ID: CHEMBL481447
• Mol file: 2121-16-6.mol

Synonyms:AT 1840;lycobetaine;lycobetaine acetate;ungeremine;ungeremine chloride;ungeremine, acetate salt

Chemical Property of Lycobetaine chloride

Chemical Property:

• Vapor Pressure: 2.98E-13mmHg at 25°C
• Boiling Point: 525.8°C at 760 mmHg
• Flash Point: 271.8°C
• Density: 1.53g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 301.0505709
• Heavy Atom Count: 21
• Complexity: 403

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C[N+]2=CC3=CC4=C(C=C3C5=CC(=CC1=C52)O)OCO4.[Cl-]

Technology Process of Lycobetaine chloride

There total 5 articles about Lycobetaine chloride 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:

→ 1-hydroxy-4,5-dihydro-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridinylium; chloride (98604-27-4) + ungeremine hydrochloride (2121-16-6)

Guidance literature:

With mercury(II) diacetate; acetic acid; anschliessend Behandeln mit wss. HCl;

DOI:10.1021/ja01627a032

Reference yield:

ungeremine (97438-92-1,2121-12-2) → ungeremine hydrochloride (2121-16-6)

Guidance literature:

With hydrogenchloride; In water; at 20 ℃;

DOI:10.1021/jf304586j

Reference yield:

lycorine (476-28-8,6835-91-2,19312-40-4,66816-51-1) → ungeremine hydrochloride (2121-16-6)

Guidance literature:

Multi-step reaction with 2 steps

1: selenium(IV) oxide / ethanol / 4 h / Reflux

2: hydrogenchloride / water / 20 °C

With hydrogenchloride; selenium(IV) oxide; In ethanol; water;

DOI:10.1021/jf304586j

upstream raw materials:

mercury(II) diacetate

acetic acid

lycorine

4,5-dihydro-7H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-2-ol