1,7-Dimethyl-1H-indole

Base Information

• Chemical Name: 1,7-Dimethyl-1H-indole
• CAS No.: 5621-16-9
• Molecular Formula: C10H11N
• Molecular Weight: 145.204
• DSSTox Substance ID: DTXSID401314573
• Nikkaji Number: J45.620I
• Wikidata: Q63392696
• Mol file: 5621-16-9.mol

Synonyms:1,7-Dimethylindole;1,7-Dimethyl-1H-indole;5621-16-9;Indole, 1,7-dimethyl-;1,7-Dimethyl-1H-indole #;1H-Indole, 1,7-dimethyl-;SCHEMBL436336;DTXSID401314573;AB90033;F78905;Q63392696

Chemical Property of 1,7-Dimethyl-1H-indole

Chemical Property:

• PSA: 4.93000
• LogP: 2.48670
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 145.089149355
• Heavy Atom Count: 11
• Complexity: 144

Purity/Quality:

95% ^*data from raw suppliers

1,7-Dimethylindole 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=CC=C1)C=CN2C

Technology Process of 1,7-Dimethyl-1H-indole

There total 14 articles about 1,7-Dimethyl-1H-indole 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: 100.0%

7-methyl-1H-indole (933-67-5,261352-51-6) + methyl iodide (74-88-4) → 1,7-dimethyl-1H-indole (5621-16-9)

Guidance literature:

7-methyl-1H-indole; With sodium hydride; In DMF (N,N-dimethyl-formamide); at 20 ℃; for 0.25h;

methyl iodide; In DMF (N,N-dimethyl-formamide); at 30 ℃; for 1h;

Reference yield: 96.0%

7-methyl-1H-indole (933-67-5,261352-51-6) + methyl bromide (74-83-9) → 1,7-dimethyl-1H-indole (5621-16-9)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; at 20 ℃;

DOI:10.1021/acs.joc.9b03392

Reference yield: 89.0%

7-methyl-1H-indole (933-67-5,261352-51-6) → 1,7-dimethyl-1H-indole (5621-16-9)

Guidance literature:

upstream raw materials:

1,7-dimethyl-octahydro-indole

1,7-dimethylindolin-2-one

1,7-dimethyl-indole-2-carboxylic acid

7-methyl-1H-indole

Downstream raw materials:

1,7-dimethyl-1H-indole-3-carbaldehyde

1,7-dimethyl-1H-indole-2-carbaldehyde

1,7-dimethyl-2-phenyl-1H-indole

C₂₇H₂₇NO

Refernces

• 1、 Hao, Tonggang,Huang, Long,Wei, Yin,Shi, Min. "Copper-Catalyzed Synthesis of Indolyl Benzo[b]carbazoles and Their Photoluminescence Property". supporting information. p. 5133 - 5137. Retrieved 2021/07/19.
• 2、 Dong, Yu,Mei, Ting,Ye, Ji-Xian,Chen, Xiang-Long,Jiang, Hui,Chang, Bo,Wang, Zhi-Fan,Shi, Zhi-Chuan,Li, Zhong-Hui,He, Bing. "Assembly of polycyclic N-heterocycles: Via copper-catalyzed cycloamination of indolylquinones and aromatic amines". supporting information. p. 4593 - 4598. Retrieved 2021/05/31.