2-Cyclohexen-1-one, 3-((2,3-dichlorophenyl)amino)-5,5-dimethyl-

Base Information

• Chemical Name: 2-Cyclohexen-1-one, 3-((2,3-dichlorophenyl)amino)-5,5-dimethyl-
• CAS No.: 100445-54-3
• Molecular Formula: C₁₄H₁₅Cl₂NO
• Molecular Weight: 284.185
• DSSTox Substance ID: DTXSID10143275
• Wikidata: Q83007055
• ChEMBL ID: CHEMBL1902176

Synonyms:3-[(2,3-dichlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one;MLS001077199;2-Cyclohexen-1-one, 3-((2,3-dichlorophenyl)amino)-5,5-dimethyl-;100445-54-3;SMR000472982;3-(2,3-dichloroanilino)-5,5-dimethylcyclohex-2-en-1-one;3-(2,3-Dichloroanilino)-5,5-dimethyl-2-cyclohexen-1-one;3-((2,3-Dichlorophenyl)amino)-5,5-dimethyl-2-cyclohexen-1-one;cid_825621;CHEMBL1902176;REGID_for_CID_825621;BDBM69616;DTXSID10143275;HMS2785A18;STL415645;AKOS000518160;3-(2,3-dichloroanilino)-5,5-dimethyl-1-cyclohex-2-enone;3-(2,3-dichloroanilino)-5,5-dimethyl-cyclohex-2-en-1-one;3-[[2,3-bis(chloranyl)phenyl]amino]-5,5-dimethyl-cyclohex-2-en-1-one

Chemical Property of 2-Cyclohexen-1-one, 3-((2,3-dichlorophenyl)amino)-5,5-dimethyl-

Chemical Property:

• Vapor Pressure: 5.66E-06mmHg at 25°C
• Boiling Point: 379.9°Cat760mmHg
• Flash Point: 183.6°C
• Density: 1.283g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 283.0530695
• Heavy Atom Count: 18
• Complexity: 365

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(=CC(=O)C1)NC2=C(C(=CC=C2)Cl)Cl)C

Technology Process of 2-Cyclohexen-1-one, 3-((2,3-dichlorophenyl)amino)-5,5-dimethyl-

There total 1 articles about 2-Cyclohexen-1-one, 3-((2,3-dichlorophenyl)amino)-5,5-dimethyl- 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: 87.0%

dimedone (126-81-8) + 2,3-dichloroaniline (608-27-5) → 3-(2,3-Dichloro-phenylamino)-5,5-dimethyl-cyclohex-2-enone (100445-54-3)

Guidance literature:

With NaHSO₄ on SiO₂ solid support; for 0.133333h; Microwave irradiation; Neat (no solvent);

DOI:10.5012/jkcs.2010.54.6.723

Reference yield:

3-(2,3-Dichloro-phenylamino)-5,5-dimethyl-cyclohex-2-enone (100445-54-3) → 1-(2,3-Dichloro-phenyl)-3,6,6-trimethyl-5,6-dihydro-1H-indole-2,4-dione

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / 4 h / Heating

2: Ac₂O

With acetic anhydride; In ethanol;

Reference yield:

2-oxo-propionic acid (127-17-3) + 3-(2,3-Dichloro-phenylamino)-5,5-dimethyl-cyclohex-2-enone (100445-54-3) → 1-(2,3-Dichloro-phenyl)-3,6,6-trimethyl-5,6-dihydro-1H-indole-2,4-dione + 1-(2,3-Dichloro-phenyl)-3-hydroxy-3,6,6-trimethyl-3,5,6,7-tetrahydro-1H-indole-2,4-dione (100485-05-0,100485-06-1,95610-89-2)

Guidance literature:

In ethanol; for 4h; Heating;

upstream raw materials:

dimedone

2,3-dichloroaniline

Downstream raw materials:

1-(2,3-Dichloro-phenyl)-3-hydroxy-3,6,6-trimethyl-3,5,6,7-tetrahydro-1H-indole-2,4-dione

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