1-(Benzenesulfonyl)-3-(3-methylbut-2-en-1-yl)-1H-indole

Base Information

• Chemical Name: 1-(Benzenesulfonyl)-3-(3-methylbut-2-en-1-yl)-1H-indole
• CAS No.: 102210-79-7
• Molecular Formula: C19H19NO2S
• Molecular Weight: 325.431
• DSSTox Substance ID: DTXSID70555214
• Nikkaji Number: J3.281.746G
• Mol file: 102210-79-7.mol

Synonyms:102210-79-7;DTXSID70555214;1-(Benzenesulfonyl)-3-(3-methylbut-2-en-1-yl)-1H-indole;3-(3-Methylbut-2-en-1-yl)-1-(phenylsulfonyl)-1H-indole

Chemical Property of 1-(Benzenesulfonyl)-3-(3-methylbut-2-en-1-yl)-1H-indole

Chemical Property:

• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 325.11365002
• Heavy Atom Count: 23
• Complexity: 524

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCC1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)C

Technology Process of 1-(Benzenesulfonyl)-3-(3-methylbut-2-en-1-yl)-1H-indole

There total 6 articles about 1-(Benzenesulfonyl)-3-(3-methylbut-2-en-1-yl)-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: 75.0%

3-bromo-1-phenylsulfonyl indole (99655-68-2) + 4,4,5,5-tetramethyl-2-(3-methylbut-2-enyl)-1,3,2-dioxaborolane (141550-13-2) → 3-(3-methylbut-2-en-1-yl)-1-(phenylsulfonyl)-1H-indole (102210-79-7)

Guidance literature:

With potassium phosphate; bis(η3-allyl-μ-chloropalladium(II)); t-BuXPhos; In water; acetonitrile; at 70 ℃; for 12h; regioselective reaction; Inert atmosphere;

DOI:10.1021/ja405950c

Reference yield: 53.0%

(3-methylbut-2-en-1-yl)zinc(II) bromide lithium chloride + 3-bromo-1-phenylsulfonyl indole (99655-68-2) → 3-(3-methylbut-2-en-1-yl)-1-(phenylsulfonyl)-1H-indole (102210-79-7)

Guidance literature:

With 2′-(dicyclohexylphophanyl)-N₂,N₂,N₆,N₆-tetramethyl[1,1′-biphenyl]-2,6-diamine; [(2-dicyclohexylphosphino-2’,6’-bis(N,N-dimethylamino)-1,1‘-biphenyl)-2-(2’-amino-1,1’-biphenyl)]palladium(II) methanesulfonate; In tetrahydrofuran; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1002/anie.201308585

Reference yield:

3,3-dimethyl-allyl chloride (503-60-6) → 3-(3-methylbut-2-en-1-yl)-1-(phenylsulfonyl)-1H-indole (102210-79-7)

Guidance literature:

Multi-step reaction with 2 steps

1: palladium dichloride; potassium acetate / tetrahydrofuran / 12 h / 60 °C / Inert atmosphere

2: potassium phosphate; t-BuXPhos; bis(η3-allyl-μ-chloropalladium(II)) / acetonitrile; water / 12 h / 70 °C / Inert atmosphere

With potassium phosphate; bis(η3-allyl-μ-chloropalladium(II)); t-BuXPhos; potassium acetate; palladium dichloride; In tetrahydrofuran; water; acetonitrile; 2: |Suzuki-Miyaura Coupling;

DOI:10.1021/ja405950c

upstream raw materials:

3-bromo-1-phenylsulfonyl indole

prenyl bromide

3-(3-methyl-2-butenyl)indole

benzenesulfonyl chloride

Downstream raw materials:

3-(3-methyl-2-butenyl)indole

1-Benzenesulfonyl-3-(2,3-dibromo-3-methyl-butyl)-1H-indole

(7RS,11SR,12SR)-methyl 9-methyl-6-oxo-5-tosyl-6,7,8,11-tetrahydro-7,11-methano-5H-cyclo-octindole-12-carboxylate

1-Benzenesulfonyl-3-(2-bromo-3-methyl-but-2-enyl)-1H-indole

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 102210-79-7 1H-Indole, 3-(3-methyl-2-butenyl)-1-(phenylsulfonyl)-

Send

Send

Metric Ton KG G Pound L ML

Send

Send