[(E)-(2,2-dimethylcyclohexylidene)amino]urea

Base Information

• Chemical Name: [(E)-(2,2-dimethylcyclohexylidene)amino]urea
• CAS No.: 7479-48-3
• Molecular Formula: C9H17 N3 O
• Molecular Weight: 183.253
• NSC Number: 401656
• DSSTox Substance ID: DTXSID40430408
• Mol file: 7479-48-3.mol

Synonyms:NSC401656;7479-48-3;DTXSID40430408;NSC-401656;Cyclohexanone, 2,2-dimethyl-, semicarbazone;[(E)-(2,2-dimethylcyclohexylidene)amino]urea

Chemical Property of [(E)-(2,2-dimethylcyclohexylidene)amino]urea

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.17g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 183.137162174
• Heavy Atom Count: 13
• Complexity: 233

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCCCC1=NNC(=O)N)C
• Isomeric SMILES: CC\1(CCCC/C1=N\NC(=O)N)C

Technology Process of [(E)-(2,2-dimethylcyclohexylidene)amino]urea

There total 3 articles about [(E)-(2,2-dimethylcyclohexylidene)amino]urea 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: 71.0%

2,2-dimethyl-cyclohexanone (1193-47-1) + semicarbazide hydrochloride (563-41-7) → 2,2-dimethylcyclohexanone semicarbazone (7479-48-3)

Guidance literature:

In methanol; water; at 20 ℃; for 0.5h;

DOI:10.1039/a804427i

Reference yield:

(+/-)-1.1-dimethyl-3-benzoyl-cyclohexanone-(2) (854435-09-9) → 2,2-dimethyl-cyclohexanone semicarbazone (7479-48-3)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH solution

With sodium hydroxide;

DOI:10.1021/ja01247a018

Reference yield:

2,2-dimethyl-cyclohexanone (1193-47-1) → 2,2-dimethyl-cyclohexanone semicarbazone (7479-48-3)

Guidance literature:

DOI:10.1021/ja01198a036 DOI:10.1021/ja01247a018 DOI:10.1039/jr9380000776

upstream raw materials:

2,2-dimethyl-cyclohexanone

(+/-)-1.1-dimethyl-3-benzoyl-cyclohexanone-⁽²⁾

semicarbazide hydrochloride

Downstream raw materials:

2,2-dimethyl-cyclohexanone