3,6-Dimethyl-9H-carbazole

Base Information

• Chemical Name: 3,6-Dimethyl-9H-carbazole
• CAS No.: 5599-50-8
• Molecular Formula: C14H13N
• Molecular Weight: 195.264
• Hs Code.: 2933990090
• European Community (EC) Number: 808-015-1
• DSSTox Substance ID: DTXSID30204559
• Nikkaji Number: J490.274B
• Wikidata: Q72469613
• Mol file: 5599-50-8.mol

Synonyms:3,6-Dimethyl-9H-carbazole;5599-50-8;3,6-Dimethylcarbazole;9H-Carbazole, 3,6-dimethyl-;MFCD00814049;Carbazole, 3,6-dimethyl-;3,6-dimethyl carbazole;SCHEMBL345690;3,6-Dimethyl-9H-carbazole #;DTXSID30204559;AMY18594;3,6-Dimethyl-9H-carbazole, 99%;AKOS003654121;AS-58450;SY055480;CS-0081247;D4512;T71060

Chemical Property of 3,6-Dimethyl-9H-carbazole

Chemical Property:

• Vapor Pressure: 9.99E-06mmHg at 25°C
• Melting Point: 215-217℃
• Boiling Point: 383°Cat760mmHg
• PKA: 17.55±0.30(Predicted)
• Flash Point: 170.8°C
• PSA: 15.79000
• Density: 1.158g/cm³
• LogP: 3.93790
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 195.104799419
• Heavy Atom Count: 15
• Complexity: 214

Purity/Quality:

99% ^*data from raw suppliers

3,6-Dimethyl-9H-carbazole ^*data from reagent suppliers

Safty Information:

• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)NC3=C2C=C(C=C3)C

Technology Process of 3,6-Dimethyl-9H-carbazole

There total 35 articles about 3,6-Dimethyl-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: 97.0%

3,6-dimethyl-2,3,4,9-tetrahydro-1H-carbazole (70473-88-0) → 3,6-Dimethyl-9H-carbazole (5599-50-8)

Guidance literature:

With copper(II) choride dihydrate; In dimethyl sulfoxide; at 100 ℃; for 7h;

DOI:10.1016/j.tetlet.2018.01.061

Reference yield: 94.0%

C21H23N3O2S (1451422-88-0) → 3,6-Dimethyl-9H-carbazole (5599-50-8)

Guidance literature:

C₂₁H₂₃N₃O₂S; With magnesium sulfate heptahydrate; In methanol; dichloromethane;

With sodium tetrahydroborate; palladium 10% on activated carbon; at 100 ℃; for 0.0833333h; under 1551.49 - 2585.81 Torr; Microwave irradiation;

DOI:10.1002/jhet.999

Reference yield: 91.0%

9-(tert-butyldimethylsilyl)-3,6-dimethyl-9H-carbazole → 3,6-Dimethyl-9H-carbazole (5599-50-8)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; toluene; for 0.5h; Inert atmosphere;

DOI:10.1039/d0tc02627a

upstream raw materials:

3,6-dimethyl-2,3,4,9-tetrahydro-1H-carbazole

3,6-dimethyl-carbazole-2,7-diyldiamine

5-methyl-1-p-tolyl-1H-1,2,3-benzotriazole

2'-amino-3-bromo-5,5'-dimethyl-biphenyl-2-ol

Downstream raw materials:

4,4'-bis(3,6-dimethylcarbazolyl)-2,2'-dimethylbiphenyl

C₂₆H₂₂N₂

Refernces

• 1、 Wentrup,Gaugaz. "-". . p. 2108,2109. Retrieved 1971.
• 2、 Beyer, Mario,Fritscher, Joerg,Feresin, Emiliano,Schiemann, Olav. "Synthesis of novel aromatic nitroxides as potential DNA intercalators. An EPR spectroscopical and DFT computational study". . p. 2209 - 2215. Retrieved 2003.
• 3、 Dalvi, Bhakti A.,Lokhande, Pradeep D.. "Copper(II) catalyzed aromatization of tetrahydrocarbazole: An unprecedented protocol and its utility towards the synthesis of carbazole alkaloids". supporting information. p. 2145 - 2149. Retrieved 2018/05/08.