N,N'-Dichloro-2-methyl-2,5-cyclohexadiene-1,4-diimine

Base Information

• Chemical Name: N,N'-Dichloro-2-methyl-2,5-cyclohexadiene-1,4-diimine
• CAS No.: 3029-60-5
• Molecular Formula: C7H6 Cl2 N2
• Molecular Weight: 189.044
• Mol file: 3029-60-5.mol

Synonyms:NSC 344490;BRN 2442554;N,N'-Dichloro-2-methyl-2,5-cyclohexadiene-1,4-diimine;2,5-Cyclohexadiene-1,4-diimine, N,N'-dichloro-2-methyl-;1-07-00-00352 (Beilstein Handbook Reference);C7H6Cl2N2;C7-H6-Cl2-N2;3029-60-5;LS-56266

Chemical Property of N,N'-Dichloro-2-methyl-2,5-cyclohexadiene-1,4-diimine

Chemical Property:

• Boiling Point: 231.4°Cat760mmHg
• Flash Point: 93.7°C
• Density: 1.31g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 187.9908036
• Heavy Atom Count: 11
• Complexity: 274

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NCl)C=CC1=NCl
• Isomeric SMILES: CC\1=C/C(=N/Cl)/C=C/C1=N\Cl

Technology Process of N,N'-Dichloro-2-methyl-2,5-cyclohexadiene-1,4-diimine

There total 4 articles about N,N'-Dichloro-2-methyl-2,5-cyclohexadiene-1,4-diimine 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: 82.5%

2-methyl-p-phenylenediamine (95-70-5) → N,N'-dichloro-2-methyl-cyclohexa-2,5-diene-1,4-diylidenediamine (3029-60-5)

Guidance literature:

With sodium hypochlorite; In water;

Reference yield:

2-methyl-4-nitro-benzenamine (99-52-5) → N,N'-dichloro-2-methyl-cyclohexa-2,5-diene-1,4-diylidenediamine (3029-60-5)

Guidance literature:

Multi-step reaction with 2 steps

1: tin, HCl

2: 82.5 percent / sodium hypochlorite / H₂O

With hydrogenchloride; tin; sodium hypochlorite; In water;

Reference yield:

2-methyl-p-phenylenediamine (95-70-5) → N,N'-dichloro-2-methyl-cyclohexa-2,5-diene-1,4-diylidenediamine (3029-60-5)

Guidance literature:

upstream raw materials:

2-methyl-p-phenylenediamine

2-methyl-4-nitro-benzenamine

Downstream raw materials:

7-amino-2-(2,4-dihydroxy-6-methyl-phenyl)-1,8-dimethyl-phenoxazin-3-one

safranin O

Refernces