9-(2-Ethylhexyl)carbazole-3,6-dicarboxaldehyde

Base Information

• Chemical Name: 9-(2-Ethylhexyl)carbazole-3,6-dicarboxaldehyde
• CAS No.: 169051-20-1
• Molecular Formula: C22H25NO2
• Molecular Weight: 335.446
• Hs Code.: 2933990090
• European Community (EC) Number: 623-882-4
• DSSTox Substance ID: DTXSID80584611
• Nikkaji Number: J671.650D
• Mol file: 169051-20-1.mol

Synonyms:169051-20-1;9-(2-Ethylhexyl)carbazole-3,6-dicarboxaldehyde;9-(2-Ethylhexyl)-9H-carbazole-3,6-dicarbaldehyde;9-(2-ETHYLHEXYL)CARBAZOLE-3,6-DICARBALDEHYDE;SCHEMBL690819;DTXSID80584611;9-(2-ETHYLHEXYL)CARBAZOLE-3 6-DICARBOXA&;9-(2-Ethylhexyl)carbazole-3,6-dicarboxaldehyde, 97%

Chemical Property of 9-(2-Ethylhexyl)carbazole-3,6-dicarboxaldehyde

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 105-110oC(lit.)
• Boiling Point: 472.755oC at 760 mmHg
• Flash Point: 239.714oC
• PSA: 39.07000
• Density: 1.101g/cm3
• LogP: 5.63590
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 335.188529040
• Heavy Atom Count: 25
• Complexity: 419

Purity/Quality:

98%,99%, ^*data from raw suppliers

9-(2-Ethylhexyl)carbazole-3,6-dicarboxaldehyde 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCC(CC)CN1C2=C(C=C(C=C2)C=O)C3=C1C=CC(=C3)C=O

Technology Process of 9-(2-Ethylhexyl)carbazole-3,6-dicarboxaldehyde

There total 6 articles about 9-(2-Ethylhexyl)carbazole-3,6-dicarboxaldehyde 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: 69.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + N-(2-ethylhexyl)carbazole (187148-77-2) → 9-(2-ethylhexyl)-9H-carbazole-3,6-dicarbaldehyde (169051-20-1)

Guidance literature:

With trichlorophosphate; In 1,2-dichloro-ethane; at -3 - 95 ℃; for 12h; Inert atmosphere;

DOI:10.1111/php.13337

Reference yield: 66.0%

N-(2-ethylhexyl)carbazole (187148-77-2) → 9-(2-ethylhexyl)-9H-carbazole-3,6-dicarbaldehyde (169051-20-1)

Guidance literature:

With trichlorophosphate; In N,N-dimethyl-formamide;

Reference yield:

3-bromomethylheptane (18908-66-2) → 9-(2-ethylhexyl)-9H-carbazole-3,6-dicarbaldehyde (169051-20-1)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOH / dimethylsulfoxide

2: POCl₃ / CH₂Cl₂

With sodium hydroxide; trichlorophosphate; In dichloromethane; dimethyl sulfoxide;

DOI:10.1080/10587250290088483

upstream raw materials:

N,N-dimethyl-formamide

N-(2-ethylhexyl)carbazole

3-bromomethylheptane

9H-carbazole