2,5-Diazido-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione

Base Information

• Chemical Name: 2,5-Diazido-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione
• CAS No.: 22826-69-3
• Molecular Formula: C8H6 N6 O4
• Molecular Weight: 250.173
• DSSTox Substance ID: DTXSID30408555
• NSC Number: 111555
• Wikidata: Q82214066
• Mol file: 22826-69-3.mol

Synonyms:22826-69-3;2,5-diazido-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione;DTXSID30408555;NSC111555;NSC-111555;p-Benzoquinone,5-diazido-3,6-dimethoxy-

Chemical Property of 2,5-Diazido-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 250.04505269
• Heavy Atom Count: 18
• Complexity: 524

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=O)C(=C(C1=O)N=[N+]=[N-])OC)N=[N+]=[N-]

Technology Process of 2,5-Diazido-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione

There total 2 articles about 2,5-Diazido-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione 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-dibromo-3,6-dimethoxy-1,4-benzoquinone (57998-72-8) → 2.5-Dimethoxy-3.6-diazido-1.4-benzochinon (22826-69-3)

Guidance literature:

With sodium azide; In acetone;

DOI:10.1021/jm00296a023

Reference yield:

2,5-dichloro-3,6-dimethoxy-1,4-benzoquinone (7210-71-1) → 2.5-Dimethoxy-3.6-diazido-1.4-benzochinon (22826-69-3)

Guidance literature:

With sodium azide; In methanol;

DOI:10.1016/S0040-4020(01)82792-7 DOI:10.1016/0584-8539(79)80125-7

Reference yield:

2.5-Dimethoxy-3.6-diazido-1.4-benzochinon (22826-69-3) → 2,3,5,6-tetraaminocyclohexa-2,5-diene-1,4-dione (1128-13-8)

Guidance literature:

Multistep reaction; (i) NH₃, EtOH, (ii) aq. Na₂S₂O₄, NaOH, (iii) O₂;

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

upstream raw materials:

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

2,5-dibromo-3,6-dimethoxy-1,4-benzoquinone

Downstream raw materials:

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

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

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

2,5-Bis-(2-acetylamino-ethylamino)-3,6-diamino-1,4-benzochinon

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