trans-2-Chloro-3-[4-(4-chlorophenyl)cyclohexyl]-1,4-naphthalenedione

Base Information

• Chemical Name: trans-2-Chloro-3-[4-(4-chlorophenyl)cyclohexyl]-1,4-naphthalenedione
• CAS No.: 153977-22-1
• Molecular Formula: C₂₂H₁₈Cl₂O₂
• Molecular Weight: 385.29
• European Community (EC) Number: 600-797-0,604-936-6,924-841-6
• DSSTox Substance ID: DTXSID20455235,DTXSID501165876
• Nikkaji Number: J997.273K
• Mol file: 153977-22-1.mol

Synonyms:153977-22-1;trans-2-Chloro-3-[4-(4-chlorophenyl)cyclohexyl]-1,4-naphthalenedione;2-CHLORO-3-[4-(4-CHLOROPHENYL)CYCLOHEXYL]NAPHTHALENE-1,4-DIONE;1071223-07-8;1,4-Naphthalenedione, 2-chloro-3-[cis-4-(4-chlorophenyl)cyclohexyl]-;1,4-Naphthalenedione,2-chloro-3-[trans-4-(4-chlorophenyl)cyclohexyl]-;SCHEMBL917397;SCHEMBL917772;SCHEMBL1542662;SCHEMBL12589641;DTXSID20455235;QUUMPHYEOKHOOW-CTYIDZIISA-N;DTXSID501165876;F18679;J-524995;4-(4-chlorophenyl)cyclohexy-3-chloro-1,4-naphthoquinone;4-(4-chlorophenyl)cyclohexyl-3-chloro-1,4-naphtoquinone;4-(4-chlorophenyl)cyclohexyl -3-chloro-1,4-naphthoquinone;4-(4-Chlorophenyl)cyclohexyl-3-chloro-1,4-naphthoquinone;2-[4-(4-chlorophenyl)cyclohexyl]-3-chloro-1,4-naphthoquinone;2-[4-(4-chlorophenyl)cyclohexyl]-3-chloro-1,4-naphtoquinone;2-[4-(4-Chlorophenyl)cyclohexyl]-3-chloro-1.4-naphthoquinone;2-Chloro-3-[4-(4-chlorophenyl)cyclohexyl]-1,4-naphthoquinone;2-[4-(4-chlorophenyl)-cyclohexyl]-3-chloro-1,4-naphthoquinone;2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-chloro-1,4-naphthoquinone;2-Chloro-3-[cis-4-(4-chlorophenyl)cyclohexyl]-1,4-naphthalenedione;trans-2-[4-(4-chlorophenyl)cyclohexyl]-3-chloro-1,4-naphthoquinone;cis-2-(4-(4-chlorophenyl) cyclohexyl) -3-chloronaphthalene-1,4-dione;trans -2-(4-(4-chlorophenyl)cyclohexyl)-3-chloronaphthalene-1,4-dione

Chemical Property of trans-2-Chloro-3-[4-(4-chlorophenyl)cyclohexyl]-1,4-naphthalenedione

Chemical Property:

• Vapor Pressure: 8.25E-11mmHg at 25°C
• Refractive Index: 1.639
• Boiling Point: 517.4 °C at 760 mmHg
• Flash Point: 216.1 °C
• PSA: 34.14000
• Density: 1.34 g/cm³
• LogP: 6.18590
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 384.0683852
• Heavy Atom Count: 26
• Complexity: 595

Purity/Quality:

98%min ^*data from raw suppliers

trans-2-Chloro-3-[4-(4-chlorophenyl)cyclohexyl]-1,4-naphthalenedione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CCC1C2=CC=C(C=C2)Cl)C3=C(C(=O)C4=CC=CC=C4C3=O)Cl

Technology Process of trans-2-Chloro-3-[4-(4-chlorophenyl)cyclohexyl]-1,4-naphthalenedione

There total 18 articles about trans-2-Chloro-3-[4-(4-chlorophenyl)cyclohexyl]-1,4-naphthalenedione 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: 95.0%

→ 2-[4-(4-chlorophenyl)-cyclohexyl]-3-chloro-1,4-naphthoquinone (129719-64-8,153977-22-1)

Guidance literature:

Reference yield: 38.0%

2-chloro-1,4-naphthoquinone (1010-60-2) + Oxalic acid mono-[4-(4-chloro-phenyl)-cyclohexyl] ester (215672-87-0) → 3-Chloro-1,4-dioxo-1,4-dihydro-naphthalene-2-carboxylic acid 4-(4-chloro-phenyl)-cyclohexyl ester + 2-[4-(4-chlorophenyl)cyclohexyl]-3-chloro-1,4-naphthoquinone (153977-22-1) + cis-2-[4-(4-chlorophenyl)cyclohexyl]-3-chloro-1,4-naphthoquinone (1071223-07-8,153977-22-1)

Guidance literature:

With ammonium peroxydisulfate; adogen 464; In dichloromethane; water; acetonitrile; Yields of byproduct given; Heating;

DOI:10.1016/S0040-4039(98)01691-8

Reference yield: 38.0%

2-chloro-1,4-naphthoquinone (1010-60-2) + Oxalic acid mono-[4-(4-chloro-phenyl)-cyclohexyl] ester (215672-87-0) → 3-Chloro-1,4-dioxo-1,4-dihydro-naphthalene-2-carboxylic acid 4-(4-chloro-phenyl)-cyclohexyl ester + 2-[4-(4-chlorophenyl)cyclohexyl]-3-chloro-1,4-naphthoquinone (153977-22-1) + cis-2-[4-(4-chlorophenyl)cyclohexyl]-3-chloro-1,4-naphthoquinone (1071223-07-8,153977-22-1)

Guidance literature:

With ammonium peroxydisulfate; adogen 464; In dichloromethane; water; acetonitrile; Yields of byproduct given; Heating;

DOI:10.1016/S0040-4039(98)01691-8

upstream raw materials:

2-chloro-1,4-naphthoquinone

Oxalic acid mono-[4-(4-chloro-phenyl)-cyclohexyl] ester

(+/-)-trans-4-(4-chlorophenyl)cyclohexane carboxylic acid

trans-2-[4-(4-cyclohexyl)chlorophenyl]-1,4-naphthoquinone

Downstream raw materials:

cis-2-[4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthalenedione

atovaquone