9-Methyl-7-bromoeudistomin D

Base Information

• Chemical Name: 9-Methyl-7-bromoeudistomin D
• CAS No.: 123363-40-6
• Molecular Formula: C₁₂H₈Br₂N₂O
• Molecular Weight: 356.016
• DSSTox Substance ID: DTXSID10153990
• Nikkaji Number: J431.804H
• Wikidata: Q27116124
• Metabolomics Workbench ID: 68178
• Mol file: 123363-40-6.mol

Synonyms:9-MBED;9-methyl-7-bromoeudistomin D;9-methyl-7-bromoeudistomin-D

Chemical Property of 9-Methyl-7-bromoeudistomin D

Chemical Property:

• Vapor Pressure: 7.41E-09mmHg at 25°C
• Boiling Point: 453.9°Cat760mmHg
• Flash Point: 228.3°C
• PSA: 38.05000
• Density: 2g/cm³
• LogP: 3.95710
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 355.89829
• Heavy Atom Count: 17
• Complexity: 304

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=CC(=C(C(=C2C3=C1C=NC=C3)Br)O)Br

Technology Process of 9-Methyl-7-bromoeudistomin D

There total 3 articles about 9-Methyl-7-bromoeudistomin D 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:

6-Methoxy-9H-pyrido<3,4-b>indol (30684-42-5) → 9-methyl-5,7-dibromoeudistomin D (123363-40-6)

Guidance literature:

Multi-step reaction with 3 steps

1: N-bromosuccinimide / acetic acid

2: BBr₃

With N-Bromosuccinimide; boron tribromide; In acetic acid; 1: Bromination / 2: Demethylation / 3: Acetylation / 3: Methylation / 3: Hydrolysis;

DOI:10.1211/0022357001774309

Reference yield:

6,8-dibromo-7-methoxy-β-carboline (113960-66-0) → 9-methyl-5,7-dibromoeudistomin D (123363-40-6)

Guidance literature:

Multi-step reaction with 2 steps

1: BBr₃

With boron tribromide; 1: Demethylation / 2: Acetylation / 2: Methylation / 2: Hydrolysis;

DOI:10.1211/0022357001774309

Reference yield:

acetic anhydride (108-24-7) + bromoeudistamin D (101927-49-5) + methyl iodide (74-88-4) → 9-methyl-5,7-dibromoeudistomin D (123363-40-6)

Guidance literature:

acetic anhydride; 7-Bromo-eudistomine D;

methyl iodide;

DOI:10.1211/0022357001774309

upstream raw materials:

acetic anhydride

bromoeudistamin D

methyl iodide

6,8-dibromo-7-methoxy-β-carboline