Nitidine methyl sulfate

Base Information

• Chemical Name: Nitidine methyl sulfate
• CAS No.: 41349-35-3
• Molecular Formula: C22H22NO8S+
• Molecular Weight: 459.469
• NSC Number: 160842
• UNII: 7S3U26FNX3
• DSSTox Substance ID: DTXSID50194302
• Mol file: 41349-35-3.mol

Synonyms:Nitidine methyl sulfate;Nitidine methosulfate;41349-35-3;NSC 160842;7S3U26FNX3;(1,3)-Benzodioxolo(5,6-c)phenanthridinium, 2,3-dimethoxy-12-methyl-, methylsulfate;NSC-160842;(1,3)Benzodioxolo(5,6-c)phenanthridinium, 2,3-dimethoxy-12-methyl-, methyl sulfate;2,3-Dimethoxy-12-methyl-(1,3)-benzodioxolo(5,6-c)phenanthridinium methylsulfate;[1,3]Benzodioxolo[5,6-c]phenanthridinium, 2,3-dimethoxy-12-methyl-, methyl sulfate;UNII-7S3U26FNX3;C21H18NO4.CH3O4S;DTXSID50194302;NSC160842;LS-34781;C21-H18-N-O4.C-H3-O4-S;[1,6-c]phenanthridinium, 2,3-dimethoxy-12-methyl-, methyl sulfate;1,6-c]phenanthridinium, 2,3-dimethoxy-12-methyl-, methyl sulfate;WLN: T G6 D6 C665 EK SO UO THJ E1 IO1 JO1 &WSO&O1;2,3-DIMETHOXY-12-METHYL(1,3)BENZODIOXOLO(5,6-C)PHENANTHRIDINIUM METHYL SULFATE;(1,3)BENZODIOXOLO(5,6-C)PHENANTHRIDINIUM, 2,3-DIMETHOXY-12-METHYL-, METHYL SULFATE (1:1)

Chemical Property of Nitidine methyl sulfate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 459.09878780
• Heavy Atom Count: 32
• Complexity: 607

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC.COS(=O)(=O)[O-]

Technology Process of Nitidine methyl sulfate

There total 7 articles about Nitidine methyl sulfate 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:

2,3-dimethoxy-4b,5,6,11b-tetrahydro-[1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridine (41303-71-3) → Nitidine methyl sulfate (41349-35-3)

Guidance literature:

Multi-step reaction with 2 steps

1: palladium/charcoal

2: nitrobenzene

With palladium on activated charcoal; nitrobenzene;

DOI:10.1039/jr9590004010

Reference yield:

N-[6-(3,4-dimethoxy-phenyl)-5,6,7,8-tetrahydro-naphtho[2,3-d][1,3]dioxol-5-yl]-formamide (41303-70-2) → Nitidine methyl sulfate (41349-35-3)

Guidance literature:

Multi-step reaction with 3 steps

1: POCl₃ / toluene

2: sulfur

3: xylene; nitrobenzene

With sulfur; trichlorophosphate; In nitrobenzene; toluene; xylene;

Reference yield:

nornitidine (18034-03-2) + dimethyl sulfate (77-78-1) → Nitidine methyl sulfate (41349-35-3)

Guidance literature:

With nitrobenzene;

DOI:10.1039/jr9590004010

upstream raw materials:

nornitidine

dimethyl sulfate

oxynitidine

dihydronitidine

Downstream raw materials:

5,6-dihydro-6-methoxynitidine