8-(N-methyl)mitozolomide

Base Information

• Chemical Name: 8-(N-methyl)mitozolomide
• CAS No.: 85622-96-4
• Molecular Formula: C₈H₉ClN₆O₂
• Molecular Weight: 256.651
• Mol file: 85622-96-4.mol

Synonyms:3-(2-chloroethyl)-8-methylcarbamoyl-[3H]-imidazo[5,1-d]-1,2,3,5-tetrazin-4-one;8-NMM;3-(2-chloroethyl)-n-methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide;8-(N-Methyl)mitozolomide;3-(2-chloroethyl)-N-methyl-4-oxoimidazo<5,1-d>-1,2,3,5-tetrazine-8-carboxamide;

Chemical Property of 8-(N-methyl)mitozolomide

Chemical Property:

• PSA: 97.67000
• Density: 1.73g/cm³
• LogP: -0.54080

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 8-(N-methyl)mitozolomide

There total 6 articles about 8-(N-methyl)mitozolomide 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: 57.0%

3-(2-chloroethyl)-4-oxoimidazo<5,1-d>-1,2,3,5-tetrazine-8-carbonyl chloride (113942-57-7) + methylamine (74-89-5) → 3-(2-chloroethyl)-N-methyl-4-oxoimidazo<5,1-d>-1,2,3,5-tetrazine-8-carboxamide (85622-96-4)

Guidance literature:

In tetrahydrofuran; water; for 0.5h;

DOI:10.1021/jm00167a018

Reference yield:

2-chloroethyl isothiocyanate (1943-83-5) + 4[5]-diazo-5[4]-methylcarbamoylimidazole + 4-amino-5-(N-methylcarbamoyl)imidazole (53525-66-9) → 3-(2-chloroethyl)-N-methyl-4-oxoimidazo<5,1-d>-1,2,3,5-tetrazine-8-carboxamide (85622-96-4)

Guidance literature:

With sodium nitrite; In water; acetic acid; ethyl acetate;

Reference yield:

benzyl 3-(2-chloroethyl)-3H-4-oxoimidazo<5,1-d>-1,2,3,5-tetrazine-8-carboxylate (113942-31-7) → 3-(2-chloroethyl)-N-methyl-4-oxoimidazo<5,1-d>-1,2,3,5-tetrazine-8-carboxamide (85622-96-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 54 percent / H₂ / palladium on charcoal (10percent)

2: 99 percent / thionyl chloride, N,N-dimethylformamide / 2.5 h / Heating

3: 57 percent / tetrahydrofuran; H₂O / 0.5 h

With thionyl chloride; hydrogen; N,N-dimethyl-formamide; palladium on activated charcoal; In tetrahydrofuran; water;

DOI:10.1021/jm00167a018

upstream raw materials:

2-chloroethyl isothiocyanate

3-(2-chloroethyl)-4-oxoimidazo<5,1-d>-1,2,3,5-tetrazine-8-carbonyl chloride

methylamine

3-(2-chloroethyl)-3,4-dihydro-4-oxoimidazo<5,1-d><1,2,3,5>tetrazine-8-carboxylic acid