CID 5487852

Base Information

• Chemical Name: CID 5487852
• CAS No.: 140210-44-2
• Molecular Formula: C₁₁H₂₀N₂O₂
• Molecular Weight: 212.292
• Mol file: 140210-44-2.mol

Synonyms:140210-44-2;1-N,2-N-dimethoxy-3,3,5,5-tetramethylcyclopentane-1,2-diimine;Cyclopentane-1,2-dione, 3,3,5,5-tetramethyl-, bis(o-methyloxime)-, (E,E)-;Cyclopentane-1,2-dione, 3,3,5,5-tetramethyl-, bis(o-methyloxime)-, (E, E)-;Cyclopentane-1,2-dione, 3,3,5,5-tetramethyl, bis(o-methyloxime)-(E,E)-;RECQGPOZJVAMAO-JMVBYTIWSA-N

Chemical Property of CID 5487852

Chemical Property:

• Vapor Pressure: 0.0514mmHg at 25°C
• Boiling Point: 242.9°Cat760mmHg
• Flash Point: 84.5°C
• PSA: 43.18000
• Density: 1.01g/cm³
• LogP: 2.44730
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform, Dichloromethane (Slightly)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 212.152477885
• Heavy Atom Count: 15
• Complexity: 274

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(C(=NOC)C1=NOC)(C)C)C
• Isomeric SMILES: CC1(/C(=N\OC)/C(=N/OC)/C(C1)(C)C)C

Technology Process of CID 5487852

There total 2 articles about CID 5487852 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: 88.0%

O-Methylhydroxylamin (67-62-9) + 3,3,5,5-tetramethylcyclopentane-1,2-dione (20633-06-1) → 3,3,5,5-Tetramethyl-cyclopentane-1,2-dione bis-(O-methyl-oxime) (140210-44-2)

Guidance literature:

With potassium acetate; In ethanol; water;

DOI:10.1002/recl.19921110105

Reference yield:

(E,Z)-3,3,5,5-tetramethyl-1,2-bis(methoxyimino)cyclopentane (140210-45-3) → 2,2,4,4-tetramethylpentanedinitrile (51937-69-0) + 2,2,4,4-tetramethyl-3,4-dihydro-2H-pyrrole-5-carbonitrile (69462-09-5) + (E)-5-(methoxyimino)-2,2,4,4-tetramethylcyclopentanone (96519-42-5) + (Z)-5-(methoxyimino)-2,2,4,4-tetramethylcyclopentanone (96519-43-6) + 3,3,5,5-Tetramethyl-cyclopentane-1,2-dione bis-(O-methyl-oxime) (140210-44-2) + 3,3,5,5-Tetramethyl-cyclopentane-1,2-dione bis-(O-methyl-oxime) (140401-51-0)

Guidance literature:

In cyclohexane; for 20h; Product distribution; Mechanism; Irradiation; other irradiation time;

DOI:10.1002/recl.19921110204

Reference yield:

3,3,5,5-Tetramethyl-cyclopentane-1,2-dione bis-(O-methyl-oxime) (140210-44-2) → (E,Z)-3,3,5,5-tetramethyl-1,2-bis(methoxyimino)cyclopentane (140210-45-3) + 3,3,5,5-Tetramethyl-cyclopentane-1,2-dione bis-(O-methyl-oxime) (140401-51-0)

Guidance literature:

In acetonitrile; Irradiation;

DOI:10.1002/recl.19921110105

upstream raw materials:

O-Methylhydroxylamin

3,3,5,5-tetramethylcyclopentane-1,2-dione

(E,Z)-3,3,5,5-tetramethyl-1,2-bis(methoxyimino)cyclopentane

Downstream raw materials:

2,2,4,4-tetramethylpentanedinitrile

2,2,4,4-tetramethyl-3,4-dihydro-2H-pyrrole-5-carbonitrile

(E)-5-(methoxyimino)-2,2,4,4-tetramethylcyclopentanone

(Z)-5-(methoxyimino)-2,2,4,4-tetramethylcyclopentanone

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