2-Methyl-1-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]-2,3-dihydroindole

Base Information

• Chemical Name: 2-Methyl-1-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]-2,3-dihydroindole
• CAS No.: 7066-07-1
• Molecular Formula: C19H24N4O2S
• Molecular Weight: 372.4845
• DSSTox Substance ID: DTXSID30414656
• Mol file: 7066-07-1.mol

Synonyms:7066-07-1;2-methyl-1-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]-2,3-dihydroindole;DTXSID30414656;AKOS002781755;AKOS016102925

Chemical Property of 2-Methyl-1-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]-2,3-dihydroindole

Chemical Property:

• Vapor Pressure: 3.15E-12mmHg at 25°C
• Boiling Point: 551.9°C at 760 mmHg
• Flash Point: 287.6°C
• Density: 1.269g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 372.16199719
• Heavy Atom Count: 26
• Complexity: 585

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2=CC=CC=C2N1C3=NC=C(C=C3)S(=O)(=O)N4CCN(CC4)C

Technology Process of 2-Methyl-1-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]-2,3-dihydroindole

There total 8 articles about 2-Methyl-1-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]-2,3-dihydroindole 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-(2-acetoxy-ethyl)-4-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-5-methyl-2-phenyl-4H-[1,4]thiazin-3-one (7269-37-6) → Thiamin-thiazolon-O-acetat (7066-07-1)

Guidance literature:

With potassium permanganate; In acetic acid;

DOI:10.1248/cpb.14.407

Reference yield:

thiamine thiazolone (490-82-4) + acetic anhydride (108-24-7) → Thiamin-thiazolon-O-acetat (7066-07-1)

Guidance literature:

With pyridine;

DOI:10.1093/geronb/55.3.P187 DOI:10.1039/jr9510000534

Reference yield:

5-(aminomethyl)-2-methylpyrimidin-4-amine (95-02-3) → Thiamin-thiazolon-O-acetat (7066-07-1)

Guidance literature:

Multi-step reaction with 3 steps

1: aq.-ethanolic KOH; aqueous NH₃

2: aqueous HCl

3: pyridine

With pyridine; hydrogenchloride; potassium hydroxide; ammonium hydroxide;

DOI:10.1093/geronb/55.3.P187

upstream raw materials:

thiamine thiazolone

acetic anhydride

6-(2-acetoxy-ethyl)-4-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-5-methyl-2-phenyl-4H-[1,4]thiazin-3-one

5-(aminomethyl)-2-methylpyrimidin-4-amine

Refernces