3-tert-butyl-9H-carbazole

Base Information

• Chemical Name: 3-tert-butyl-9H-carbazole
• CAS No.: 22401-74-7
• Molecular Formula: C16H17N
• Molecular Weight: 223.318
• European Community (EC) Number: 834-253-0
• UNII: AVF2AGH99B
• ChEMBL ID: CHEMBL1170621
• DSSTox Substance ID: DTXSID30477842
• Nikkaji Number: J2.740.018C
• Pharos Ligand ID: DXLP7VQYHU1Y
• Mol file: 22401-74-7.mol

Synonyms:3-tert-butyl-9H-carbazole;3-(tert-Butyl)-9H-carbazole;22401-74-7;9H-Carbazole, 3-(1,1-dimethylethyl)-;CHEMBL1170621;MFCD12024281;3-tert-Butylcarbazole;AVF2AGH99B;SCHEMBL10090582;DTXSID30477842;XAA40174;BDBM50322591;3-(1,1-Dimethylethyl)-9H-carbazole;AKOS030561970;AS-62719;PD181524;SY055856;B5053;CS-0161213;T70592

Chemical Property of 3-tert-butyl-9H-carbazole

Chemical Property:

• Melting Point: 151.0 to 155.0 °C
• Boiling Point: 384.1±11.0 °C(Predicted)
• PKA: 17.45±0.30(Predicted)
• PSA: 15.79000
• Density: 1.101±0.06 g/cm3(Predicted)
• LogP: 4.61860
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 223.136099547
• Heavy Atom Count: 17
• Complexity: 278

Purity/Quality:

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

3-(tert-Butyl)-9H-carbazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC2=C(C=C1)NC3=CC=CC=C32

Technology Process of 3-tert-butyl-9H-carbazole

There total 7 articles about 3-tert-butyl-9H-carbazole 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%

3-(tert-butyl)-2,3,4,9-tetrahydro-1H-carbazole (22401-71-4) → 3-(1,1-dimethylethyl)-9H-carbazole (22401-74-7)

Guidance literature:

palladium 10% on activated carbon; In 1,3,5-trimethyl-benzene; at 180 - 190 ℃; for 30h; Heating / reflux;

Reference yield: 94.0%

N-(4-tert-butylphenyl)-2-chlorobenzenamine (1160823-33-5) → 3-(1,1-dimethylethyl)-9H-carbazole (22401-74-7)

Guidance literature:

With potassium tert-butylate; In dimethyl sulfoxide; for 1h; UV-irradiation;

DOI:10.1021/jo9006249

Reference yield: 91.0%

→ 3-(1,1-dimethylethyl)-9H-carbazole (22401-74-7)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In water; N,N-dimethyl-formamide; at 80 ℃; for 4h; Inert atmosphere;

upstream raw materials:

3-(tert-butyl)-2,3,4,9-tetrahydro-1H-carbazole

N-(4-tert-butylphenyl)-2-chlorobenzenamine

4-tert-butyldiphenylamine

4-tercbutyl-cyclohexanone

Refernces

• 1、 -. "ORGANIC COMPOUND, AND RADICAL POLYMERIZATION INITIATOR AND CURABLE COMPOSITION CONTAINING THE SAME". Paragraph 0134-0137. . Retrieved 2021/08/31.
• 2、 Matulaitis,Kostiv,Grazulevicius,Peciulyte,Simokaitiene,Jankauskas,Luszczynska,Ulanski. "Synthesis and properties of bipolar derivatives of 1,3,5-triazine and carbazole". . p. 45 - 58. Retrieved 2016/01/15.