1H-Benz(g)indole, 2,3-dimethyl-

Base Information

• Chemical Name: 1H-Benz(g)indole, 2,3-dimethyl-
• CAS No.: 36729-21-2
• Molecular Formula: C14H13 N
• Molecular Weight: 195.264
• DSSTox Substance ID: DTXSID50190187
• Nikkaji Number: J1.516.346A
• Wikidata: Q83062480
• Mol file: 36729-21-2.mol

Synonyms:2,3-dimethyl-1H-benzo[g]indole;1H-Benz(g)indole, 2,3-dimethyl-;36729-21-2;2,3-dimethylbenzo[g]indole;dimethylbenzindole;2,3-Dimethyl-1H-benz(g)indole;SCHEMBL6325158;DTXSID50190187;UIEQALGRBADZNA-UHFFFAOYSA-N;STK386327;AKOS000444851;NCGC00341691-01;AB01333975-02

Chemical Property of 1H-Benz(g)indole, 2,3-dimethyl-

Chemical Property:

• Vapor Pressure: 5.69E-06mmHg at 25°C
• Boiling Point: 391.1°C at 760 mmHg
• Flash Point: 175.2°C
• PSA: 15.79000
• Density: 1.158g/cm³
• LogP: 3.93790
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 195.104799419
• Heavy Atom Count: 15
• Complexity: 238

Purity/Quality:

2,3-DIMETHYL-1H-BENZO[G]INDOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(NC2=C1C=CC3=CC=CC=C32)C

Technology Process of 1H-Benz(g)indole, 2,3-dimethyl-

There total 8 articles about 1H-Benz(g)indole, 2,3-dimethyl- 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: 96.0%

1-amino-naphthalene (134-32-7) + 2.3-butanediol (513-85-9) → 2,3-dimethylbenz<6,7>indole (36729-21-2)

Guidance literature:

With iridium (III) chloride trihydrate; oxygen; sodium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In 1,3,5-trimethyl-benzene; at 169 ℃; for 15h;

DOI:10.1021/jo801966u

Reference yield: 82.0%

1-amino-naphthalene (134-32-7) + but-3-yn-2-ol (2028-63-9) → 2,3-dimethylbenz<6,7>indole (36729-21-2)

Guidance literature:

With ammonium hexafluorophosphate; dodecacarbonyl-triangulo-triruthenium; In ethylene glycol; at 140 ℃; for 20h;

DOI:10.1016/S0040-4039(01)00588-3

Reference yield: 78.0%

(2,3-Dimethyl-benzo[g]indol-1-yl)-oxo-acetic acid ethyl ester (114570-16-0) + phenylmagnesium bromide → phenylglyoxylic acid ethyl ester (1603-79-8) + 2,3-dimethylbenz<6,7>indole (36729-21-2) + α-phenylbenzoin (4237-46-1) + benzil (134-81-6) + ethyl benzilate (52182-15-7)

Guidance literature:

In acetone; Product distribution;

DOI:10.1007/BF00475361

upstream raw materials:

(2,3-Dimethyl-benzo[g]indol-1-yl)-oxo-acetic acid ethyl ester

1-amino-naphthalene

but-3-yn-2-ol

(E)-N-(2-butenyl)-1-naphthylamine