9-Benzylcarbazole-3,6-dicarboxaldehyde

Base Information

• Chemical Name: 9-Benzylcarbazole-3,6-dicarboxaldehyde
• CAS No.: 200698-05-1
• Molecular Formula: C₂₁H₁₅NO₂
• Molecular Weight: 313.356
• Hs Code.: 2933990090
• European Community (EC) Number: 678-187-9
• DSSTox Substance ID: DTXSID70596607
• Wikidata: Q82491908
• Mol file: 200698-05-1.mol

Synonyms:200698-05-1;9-Benzylcarbazole-3,6-dicarboxaldehyde;9-benzyl-9H-carbazole-3,6-dicarbaldehyde;9-BENZYLCARBAZOLE-3,6-DICARBALDEHYDE;9H-Carbazole-3,6-dicarboxaldehyde, 9-(phenylmethyl)-;9-Benzyl-3,6-diformylcarbazole;SCHEMBL689732;3,6-diformyl-9-benzylcarbazole;DTXSID70596607;MFCD08276316;AKOS015839185;AS-69026;DB-045077;B2805;D88965;A879851

Chemical Property of 9-Benzylcarbazole-3,6-dicarboxaldehyde

Chemical Property:

• Vapor Pressure: 4.04E-10mmHg at 25°C
• Refractive Index: 1.643
• Boiling Point: 499.7°C at 760 mmHg
• Flash Point: 256°C
• PSA: 39.07000
• Density: 1.19g/cm³
• LogP: 4.46780
• Solubility.: soluble in Dimethylformamide
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 313.110278721
• Heavy Atom Count: 24
• Complexity: 427

Purity/Quality:

98% ^*data from raw suppliers

9-Benzylcarbazole-3,6-dicarboxaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C=O)C4=C2C=CC(=C4)C=O

Technology Process of 9-Benzylcarbazole-3,6-dicarboxaldehyde

There total 5 articles about 9-Benzylcarbazole-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: 53.0%

9-benzyl-9H-carbazole (19402-87-0) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 9-benzyl-3,6-dicarbaldehyde-9H-carbazole (200698-05-1)

Guidance literature:

N,N-dimethyl-formamide; With trichlorophosphate; In 1,2-dichloro-ethane; at 0 - 35 ℃;

9-benzyl-9H-carbazole; In 1,2-dichloro-ethane; at 90 ℃; for 48h;

DOI:10.1039/c8dt00252e

Reference yield:

9-benzyl-9H-carbazole (19402-87-0) → 9-benzyl-3,6-dicarbaldehyde-9H-carbazole (200698-05-1)

Guidance literature:

With trichlorophosphate; Zinc chloride; In N,N-dimethyl-formamide; toluene;

Reference yield:

9H-carbazole (86-74-8,105184-46-1,97960-57-1) → 9-benzyl-3,6-dicarbaldehyde-9H-carbazole (200698-05-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydroxide / dimethyl sulfoxide / 0.67 h / 60 °C

1.2: 6 h / 60 °C

2.1: trichlorophosphate / 1 h / 0 - 20 °C

2.2: 48 h / 85 - 90 °C

With sodium hydroxide; trichlorophosphate; In dimethyl sulfoxide; 2.1: Vilsmeier formylation;

DOI:10.1002/poc.1923

upstream raw materials:

9-benzyl-9H-carbazole

N,N-dimethyl-formamide

9H-carbazole

benzyl chloride

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