N-[2,5-dichloro-3,6-dioxo-4-(propanoylamino)cyclohexa-1,4-dien-1-yl]propanamide

Base Information

• Chemical Name: N-[2,5-dichloro-3,6-dioxo-4-(propanoylamino)cyclohexa-1,4-dien-1-yl]propanamide
• CAS No.: 109018-79-3
• Molecular Formula: C₁₂H₁₂Cl₂N₂O₄
• Molecular Weight: 319.144
• NSC Number: 285233
• DSSTox Substance ID: DTXSID301148460
• ChEMBL ID: CHEMBL1446929
• Mol file: 109018-79-3.mol

Synonyms:MLS000757112;SMR000528879;NSC285233;109018-79-3;cid_323616;CHEMBL1446929;BDBM47823;DTXSID301148460;NSC-285233;N-[2,5-dichloro-3,6-dioxo-4-(propanoylamino)cyclohexa-1,4-dien-1-yl]propanamide;N,N'-(2,5-Dichloro-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis[propanamide];N-(2,5-dichloro-3,6-diketo-4-propionamido-cyclohexa-1,4-dien-1-yl)propionamide;N-[2,5-dichloro-3,6-dioxo-4-(1-oxopropylamino)-1-cyclohexa-1,4-dienyl]propanamide;N-[2,5-bis(chloranyl)-3,6-bis(oxidanylidene)-4-(propanoylamino)cyclohexa-1,4-dien-1-yl]propanamide

Chemical Property of N-[2,5-dichloro-3,6-dioxo-4-(propanoylamino)cyclohexa-1,4-dien-1-yl]propanamide

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 318.0174123
• Heavy Atom Count: 20
• Complexity: 514

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(=O)NC1=C(C(=O)C(=C(C1=O)Cl)NC(=O)CC)Cl

Technology Process of N-[2,5-dichloro-3,6-dioxo-4-(propanoylamino)cyclohexa-1,4-dien-1-yl]propanamide

There total 1 articles about N-[2,5-dichloro-3,6-dioxo-4-(propanoylamino)cyclohexa-1,4-dien-1-yl]propanamide 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:

2,5-diamino-3,6-dichloro-1,4-benzoquinone (3908-48-3) + propionic acid anhydride (123-62-6) → 2,5-dichloro-3,6-bis-propionylamino-[1,4]benzoquinone (109018-79-3)

Guidance literature:

With sulfuric acid;

DOI:10.1002/hlca.19570400232

Reference yield:

2,5-dichloro-3,6-bis-propionylamino-[1,4]benzoquinone (109018-79-3) → 2,5-Bis--3,6-diamino-1,4-benzochinon (734-94-1)

Guidance literature:

With ammonia; phenol; at 80 ℃;

DOI:10.1016/S0040-4020(01)82792-7

Reference yield:

2,5-dichloro-3,6-bis-propionylamino-[1,4]benzoquinone (109018-79-3) + 2-Methylaziridine (75-55-8,41927-28-0,76612-76-5,76612-77-6,205537-16-2) → 2,5-bis-(2-methyl-aziridin-1-yl)-3,6-bis-propionylamino-[1,4]benzoquinone (110059-24-0)

Guidance literature:

With 1,4-dioxane; triethylamine;

DOI:10.1002/hlca.19570400232

upstream raw materials:

2,5-diamino-3,6-dichloro-1,4-benzoquinone

propionic acid anhydride

Downstream raw materials:

2,5-bis-aziridin-1-yl-3,6-bis-propionylamino-[1,4]benzoquinone

2,5-bis-(2-methyl-aziridin-1-yl)-3,6-bis-propionylamino-[1,4]benzoquinone

2,5-Bis-propionylamino-3,6-dimethoxy-1,4-benzochinon

2,5-Bis--3,6-diamino-1,4-benzochinon