Methyl 3-cyclohexyl-2-(furan-3-yl)-1H-indole-6-carboxylate

Base Information

Chemical Name:Methyl 3-cyclohexyl-2-(furan-3-yl)-1H-indole-6-carboxylate
CAS No.:494799-20-1
Molecular Formula:C20H21 N O3
Molecular Weight:323.392
Hs Code.:
DSSTox Substance ID:DTXSID10463541
Wikidata:Q82288457

Synonyms:494799-20-1;Methyl 3-cyclohexyl-2-(furan-3-yl)-1H-indole-6-carboxylate;SCHEMBL1173880;DTXSID10463541

Suppliers and Price of Methyl 3-cyclohexyl-2-(furan-3-yl)-1H-indole-6-carboxylate

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 1 raw suppliers

Chemical Property of Methyl 3-cyclohexyl-2-(furan-3-yl)-1H-indole-6-carboxylate

Chemical Property:

Vapor Pressure:2.2E-10mmHg at 25°C
Boiling Point:506.5oC at 760 mmHg
Flash Point:260.1oC
PSA：55.23000
Density:1.201g/cm3
LogP:5.26220
XLogP3:5.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:323.15214353
Heavy Atom Count:24
Complexity:448

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC2=C(C=C1)C(=C(N2)C3=COC=C3)C4CCCCC4

Technology Process of Methyl 3-cyclohexyl-2-(furan-3-yl)-1H-indole-6-carboxylate

There total 7 articles about Methyl 3-cyclohexyl-2-(furan-3-yl)-1H-indole-6-carboxylate 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: 99.0%

: 494799-19-8
methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate

: 55552-70-0
furan-3-boronic acid

: 494799-20-1
3-cyclohexyl-2-(3-furyl)indole-6-carboxylic acid methyl ester

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; lithium chloride; In ethanol; water; toluene; at 80 ℃;
DOI:10.1016/j.bmcl.2006.07.074

Reference yield:

: 494799-16-5
3-(cyclohex-1-en-1-yl)-1H-indole-6-carboxylic acid

: 494799-20-1
3-cyclohexyl-2-(3-furyl)indole-6-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: H₂ / Pd(OH)2/C / methanol; tetrahydrofuran / 24 h / 20 °C / 2844.31 Torr

2: 21.90 g / K₂CO₃ / dimethylformamide / 20 °C

3: 71 percent / pyridine tribromide / tetrahydrofuran; CHCl₃ / 2.5 h / 0 - 20 °C

4: 99 percent / LiCl; Na₂CO₃; Pd(PPh₃)4 / toluene; ethanol; H₂O / 80 °C

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; pyridine tribromide; hydrogen; sodium carbonate; potassium carbonate; lithium chloride; palladium dihydroxide; In tetrahydrofuran; methanol; ethanol; chloroform; water; N,N-dimethyl-formamide; toluene; 4: Suzuki cross-coupling;
DOI:10.1016/j.bmcl.2006.07.074

Reference yield:

: 1670-82-2,261352-47-0
Indole-6-carboxylic acid

: 494799-20-1
3-cyclohexyl-2-(3-furyl)indole-6-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 5 steps

1: NaOMe / methanol / 36 h / Heating

2: H₂ / Pd(OH)2/C / methanol; tetrahydrofuran / 24 h / 20 °C / 2844.31 Torr

3: 21.90 g / K₂CO₃ / dimethylformamide / 20 °C

4: 71 percent / pyridine tribromide / tetrahydrofuran; CHCl₃ / 2.5 h / 0 - 20 °C

5: 99 percent / LiCl; Na₂CO₃; Pd(PPh₃)4 / toluene; ethanol; H₂O / 80 °C

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; pyridine tribromide; hydrogen; sodium methylate; sodium carbonate; potassium carbonate; lithium chloride; palladium dihydroxide; In tetrahydrofuran; methanol; ethanol; chloroform; water; N,N-dimethyl-formamide; toluene; 5: Suzuki cross-coupling;
DOI:10.1016/j.bmcl.2006.07.074