2,5-Dimethyl-2,5-cyclohexadiene-1,4-diylidenebiscyanamide

Base Information

• Chemical Name: 2,5-Dimethyl-2,5-cyclohexadiene-1,4-diylidenebiscyanamide
• CAS No.: 98507-06-3
• Molecular Formula: C10H8 N4
• Molecular Weight: 184.2
• Hs Code.: 2926909090
• European Community (EC) Number: 622-457-0
• DSSTox Substance ID: DTXSID00405112
• Nikkaji Number: J138.616F
• Mol file: 98507-06-3.mol

Synonyms:98507-06-3;2,5-DIMETHYL-2,5-CYCLOHEXADIENE-1,4-DIYLIDENEBISCYANAMIDE;(4-cyanoimino-2,5-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide;N,N'-(2,5-Dimethyl-2,5-cyclohexadiene-1,4-diylidene)biscyanamide;N,N'-(2,5-DImethyl-2,5-cyclohexadiene-1,4-diylidene)bis[cyanamide];SCHEMBL2861669;SCHEMBL11910567;SCHEMBL18634862;DTXSID00405112;HMS1787A10;AKOS001011867;N,N'-dicyano-2,5-dimethyl-1,4-benzoquinone diimine;Z56767814;(2,5-Dimethylcyclohexa-2,5-diene-1,4-diylidene)dicyanamide;2,5-Dimethyl-2,5-cyclohexadiene-1,4-diyl idenebiscyanamide,98%;N,N'-(2,5-Dimethyl-2,5-cyclohexadiene-1,4-diylidene)biscyanamide, 98%

Chemical Property of 2,5-Dimethyl-2,5-cyclohexadiene-1,4-diylidenebiscyanamide

Chemical Property:

• Melting Point: 191-194 °C(lit.)
• Boiling Point: 275oC at 760 mmHg
• Flash Point: 120.1oC
• PSA: 72.30000
• Density: 1.1g/cm3
• LogP: 1.73676
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 184.074896272
• Heavy Atom Count: 14
• Complexity: 425

Purity/Quality:

99% ^*data from raw suppliers

N,N′-(2,5-Dimethyl-2,5-cyclohexadiene-1,4-diylidene)biscyanamide 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC#N)C(=CC1=NC#N)C

Technology Process of 2,5-Dimethyl-2,5-cyclohexadiene-1,4-diylidenebiscyanamide

There total 8 articles about 2,5-Dimethyl-2,5-cyclohexadiene-1,4-diylidenebiscyanamide 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: 89.0%

2,5-Dimethyl-1,4-benzoquinone (137-18-8) + bis(trimethylsilyl)carbodi-imide (1000-70-0) → N,N'-Dicyano-2,5-dimethyl-1,4-benzoquinonediimine (90508-36-4,98507-06-3,105454-23-7,121011-03-8)

Guidance literature:

With titanium tetrachloride; In dichloromethane; for 4h;

Reference yield: 30.0%

N,N'-(2,5-Dimethyl-1,4-phenylene)bis(cyanamide) (98515-30-1) → N,N'-Dicyano-2,5-dimethyl-1,4-benzoquinonediimine (90508-36-4,98507-06-3,105454-23-7,121011-03-8)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In benzene; for 4h; Ambient temperature;

Reference yield:

N,N'-(2,5-Dimethyl-1,4-phenylene)bis(cyanamide) (98515-30-1) → 2,5-dimethyl-N,N'-dicyanoquinone diimine (98507-06-3)

Guidance literature:

With bunazosin; In acetonitrile; Petroleum ether; benzene;

upstream raw materials:

2,6-dimethyl-1,4-benzoquinone

N,N'-(2,5-Dimethyl-1,4-phenylene)bis(cyanamide)

2,5-Dimethyl-1,4-benzoquinone

bis(trimethylsilyl)carbodi-imide