3-(Cyclohex-1-en-1-yl)-1H-indole-6-carboxylic acid

Base Information

• Chemical Name: 3-(Cyclohex-1-en-1-yl)-1H-indole-6-carboxylic acid
• CAS No.: 494799-16-5
• Molecular Formula: C15H15 N O2
• Molecular Weight: 241.29
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60458023
• Wikidata: Q82281145
• Mol file: 494799-16-5.mol

Synonyms:494799-16-5;3-(Cyclohex-1-en-1-yl)-1H-indole-6-carboxylic acid;3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;3-Cyclohexenyl-6-indole Carboxylic Acid;3-cyclohexenyl-1H-indole-6-carboxylic acid;SCHEMBL389548;3-(Cyclohex-1-en-1-yl)-1H-indole-6-carboxylicacid;DTXSID60458023;XQBDRIDNEPEVTF-UHFFFAOYSA-N;FT-0715237;3-Cyclohex-1-enyl-1H-indole-6-carboxylic acid;3-cyclohex-1-en-1-yl-1H-indole-6-carboxylic acid;1H-Indole-6-carboxylicacid,3-(1-cyclohexen-1-yl)-

Chemical Property of 3-(Cyclohex-1-en-1-yl)-1H-indole-6-carboxylic acid

Chemical Property:

• Boiling Point: 495.6±33.0 °C(Predicted)
• PKA: 4.50±0.30(Predicted)
• PSA: 53.09000
• Density: 1.291±0.06 g/cm3(Predicted)
• LogP: 3.82350
• Storage Temp.: 2-8°C
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 241.110278721
• Heavy Atom Count: 18
• Complexity: 364

Purity/Quality:

99% ^*data from raw suppliers

3-(Cyclohex-1-en-1-yl)-1H-indole-6-carboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=CC1)C2=CNC3=C2C=CC(=C3)C(=O)O

Technology Process of 3-(Cyclohex-1-en-1-yl)-1H-indole-6-carboxylic acid

There total 7 articles about 3-(Cyclohex-1-en-1-yl)-1H-indole-6-carboxylic acid 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%

Indole-6-carboxylic acid (1670-82-2,261352-47-0) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 3-(cyclohex-1-en-1-yl)-1H-indole-6-carboxylic acid (494799-16-5)

Guidance literature:

Indole-6-carboxylic acid; cyclohexanone; With sodium methylate; In methanol; for 17h; Heating / reflux;

With hydrogenchloride; In methanol; water; pH=1;

Reference yield: 100.0%

indole-6-carboxylic acid methyl ester (50820-65-0) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 3-(cyclohex-1-en-1-yl)-1H-indole-6-carboxylic acid (494799-16-5)

Guidance literature:

indole-6-carboxylic acid methyl ester; cyclohexanone; With sodium methylate; In methanol; at 20 ℃; for 8.75h; Heating / reflux;

With hydrogenchloride; water; In water; at 0 ℃; pH=1;

Reference yield: 100.0%

Indole-6-carboxylic acid (1670-82-2,261352-47-0) + methanolic sodium methoxide → 3-(cyclohex-1-en-1-yl)-1H-indole-6-carboxylic acid (494799-16-5)

Guidance literature:

In methanol; water; cyclohexanone;

upstream raw materials:

indole-6-carboxylic acid methyl ester

cyclohexanone

Indole-6-carboxylic acid

1-methyl-1H-indole-6-carboxylic acid

Downstream raw materials:

3-cyclohexyl-1-methyl-1H-indole-6-carboxylic acid

5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid, 13-cyclohexyl-6-(4-morpholinylcarbonyl)methyl ester

7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylic acid, 13-cyclohexyl-3-methoxy-, 10-(1,1-dimethylethyl) ester

13-cyclohexyl-3-methoxy-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylic acid 10-(1,1-dimethylethyl) ester 6-methyl ester