8-(Aminocarbonyloxymethyl)-1,1a,2,8b-tetrahydro-6-methoxy-1,5-dimethylazirino[2',3'

Base Information

• Chemical Name: 8-(Aminocarbonyloxymethyl)-1,1a,2,8b-tetrahydro-6-methoxy-1,5-dimethylazirino[2',3'
• CAS No.: 15973-07-6
• Molecular Formula: C16H17N3O5
• Molecular Weight: 331.328
• Nikkaji Number: J1.352.694J
• ChEMBL ID: CHEMBL3276504
• Mol file: 15973-07-6.mol

Synonyms:8-(Aminocarbonyloxymethyl)-1,1a,2,8b-tetrahydro-6-methoxy-1,5-dimethylazirino[2',3';CHEMBL3276504;N-Methyl-7-methoxyaziridinomitosene

Chemical Property of 8-(Aminocarbonyloxymethyl)-1,1a,2,8b-tetrahydro-6-methoxy-1,5-dimethylazirino[2',3'

Chemical Property:

• Boiling Point: 624.7±55.0 °C(Predicted)
• PKA: 13.15±0.50(Predicted)
• Flash Point: 331.6oC
• PSA: 104.62000
• Density: 1.68±0.1 g/cm3(Predicted)
• LogP: 1.20320
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 331.11682065
• Heavy Atom Count: 24
• Complexity: 675

Purity/Quality:

95% ^*data from raw suppliers

Aziridinomitosene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3=C2COC(=O)N)N4C)OC
• Isomeric SMILES: CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H](C3=C2COC(=O)N)N4C)OC

Technology Process of 8-(Aminocarbonyloxymethyl)-1,1a,2,8b-tetrahydro-6-methoxy-1,5-dimethylazirino[2',3'

There total 7 articles about 8-(Aminocarbonyloxymethyl)-1,1a,2,8b-tetrahydro-6-methoxy-1,5-dimethylazirino[2',3' 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: 90.0%

N-methylmitomycin A (18209-14-8) → 7-methoxy-1,2-(N-methylaziridino)mitosene (15973-07-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; ascorbic acid; In pyridine;

DOI:10.1021/ja00275a065

Reference yield: 37.0%

N-methylmitomycin A (18209-14-8) + 2-(mercaptomethyl)piperidine hydrogen iodide → 7-methoxy-1,2-(N-methylaziridino)mitosene (15973-07-6)

Guidance literature:

With TEA; potassium carbonate; In methanol; at 20 ℃; for 0.25h;

DOI:10.3987/com-01-9215

Reference yield: 30.0%

leucomitomycin (102831-59-4) → N-methylmitomycin A (18209-14-8) + 9-epimitomycin B (13164-90-4) + 7-methoxy-1,2-(N-methylaziridino)mitosene (15973-07-6)

Guidance literature:

With oxygen; silica gel; triethylamine; In chloroform;

DOI:10.1021/jo00228a063

upstream raw materials:

N-methylmitomycin A

mitomycin B

leucomitomycin

mitomycin A

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