Cyclopent[b]indole-2-propanenitrile, 1,4-dihydro-4-methyl-3-phenyl-

Base Information

Chemical Name:Cyclopent[b]indole-2-propanenitrile, 1,4-dihydro-4-methyl-3-phenyl-
CAS No.:828937-88-8
Molecular Formula:C21H18N2
Molecular Weight:298.387
Hs Code.:
DSSTox Substance ID:DTXSID00462427
Wikidata:Q82286967

Synonyms:828937-88-8;3-(4-Methyl-3-phenyl-1,4-dihydrocyclopenta[b]indol-2-yl)propanenitrile;Cyclopent[b]indole-2-propanenitrile, 1,4-dihydro-4-methyl-3-phenyl-;DTXSID00462427

Suppliers and Price of Cyclopent[b]indole-2-propanenitrile, 1,4-dihydro-4-methyl-3-phenyl-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of Cyclopent[b]indole-2-propanenitrile, 1,4-dihydro-4-methyl-3-phenyl-

Chemical Property:

XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:298.146998583
Heavy Atom Count:23
Complexity:519

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C2=CC=CC=C2C3=C1C(=C(C3)CCC#N)C4=CC=CC=C4

Technology Process of Cyclopent[b]indole-2-propanenitrile, 1,4-dihydro-4-methyl-3-phenyl-

There total 5 articles about Cyclopent[b]indole-2-propanenitrile, 1,4-dihydro-4-methyl-3-phenyl- 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: 60.0%

: 108-86-1,52753-63-6
bromobenzene

: 828937-87-7
methyl 2-(2-cyanoethyl)-4-methyl-3-oxo-1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate

: 828937-88-8
3-(4-methyl-3-phenyl-1,4-dihydrocyclopenta[b]indol-2-yl)propanenitrile

Guidance literature:: bromobenzene; With iodine; magnesium; In tetrahydrofuran; for 1h; Heating;

methyl 2-(2-cyanoethyl)-4-methyl-3-oxo-1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate; In tetrahydrofuran; at -78 - 20 ℃; Further stages.;
DOI:10.1002/ejoc.200400409

Reference yield:

: 830-96-6
Indole-3-propionic acid

: 828937-88-8
3-(4-methyl-3-phenyl-1,4-dihydrocyclopenta[b]indol-2-yl)propanenitrile

Guidance literature:: Multi-step reaction with 5 steps

1.1: KOH / acetone / 4 h / 20 °C

1.2: 95 percent / KOH / H₂O / 2 h / Heating

2.1: 95 percent / PPA / toluene / 4 h / 110 °C

3.1: 88 percent / KH / 1 h / 150 °C

4.1: 70 percent / tBuOK / 2-methyl-propan-2-ol / 3 h / 20 °C

5.1: Mg; I₂ / tetrahydrofuran / 1 h / Heating

5.2: 60 percent / tetrahydrofuran / -78 - 20 °C

With potassium hydroxide; potassium tert-butylate; iodine; potassium hydride; magnesium; In tetrahydrofuran; acetone; toluene; tert-butyl alcohol; 5.2: Grignard reaction;
DOI:10.1002/ejoc.200400409

Reference yield:

: 16244-16-9
1,4-dihydro-4-methyl-cyclopent[b]indol-3(2H)-one

: 828937-88-8
3-(4-methyl-3-phenyl-1,4-dihydrocyclopenta[b]indol-2-yl)propanenitrile

Guidance literature:: Multi-step reaction with 3 steps

1.1: 88 percent / KH / 1 h / 150 °C

2.1: 70 percent / tBuOK / 2-methyl-propan-2-ol / 3 h / 20 °C

3.1: Mg; I₂ / tetrahydrofuran / 1 h / Heating

3.2: 60 percent / tetrahydrofuran / -78 - 20 °C

With potassium tert-butylate; iodine; potassium hydride; magnesium; In tetrahydrofuran; tert-butyl alcohol; 3.2: Grignard reaction;
DOI:10.1002/ejoc.200400409