6-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)-1H-indole

Base Information

• Chemical Name: 6-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)-1H-indole
• CAS No.: 912332-45-7
• Molecular Formula: C₁₅H₂₀BNO₂
• Molecular Weight: 257.14
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60681930
• Wikidata: Q82606112
• Mol file: 912332-45-7.mol

Synonyms:912332-45-7;6-METHYL-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE;6-METHYLINDOLE-2-BORONIC ACID PINACOL ESTER;6-METHYL-1H-INDOLE-2-BORONIC ACID PINACOL ESTER;SCHEMBL3965583;DTXSID60681930;DJFGVVLVJWDLJI-UHFFFAOYSA-N;MFCD11858378;AT17082;MB10207;BS-29797;CS-0175857;FT-0757977

Chemical Property of 6-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)-1H-indole

Chemical Property:

• PSA: 34.25000
• LogP: 2.77550
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 257.1587090
• Heavy Atom Count: 19
• Complexity: 342

Purity/Quality:

97% ^*data from raw suppliers

6-Methyl-1H-indole-2-boronicacidpinacolester 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(N2)C=C(C=C3)C

Technology Process of 6-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)-1H-indole

There total 2 articles about 6-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-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: 52.0%

→ 6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (912332-45-7)

Guidance literature:

Reference yield: 43.0%

6-methylindole (3420-02-8) + bis(pinacol)diborane (73183-34-3) → 6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (912332-45-7)

Guidance literature:

With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; 4,4'-di-tert-butyl-2,2'-bipyridine; In neat (no solvent); for 1.65h; Milling;

DOI:10.1002/chem.201900685

Reference yield: 73.0%

6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (912332-45-7) + 4-fluoro-1-iodobenzene (352-34-1) → 2-(4-fluorophenyl)indole (782-17-2)

Guidance literature:

With water; palladium diacetate; cesium fluoride; tert-butyl XPhos; In neat (no solvent); for 1.65h; Milling;

DOI:10.1002/chem.201900685

upstream raw materials:

6-methylindole

bis(pinacol)diborane

Downstream raw materials:

2-(4-fluorophenyl)indole

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