Tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-indole-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-indole-1-carboxylate
• CAS No.: 777061-36-6
• Molecular Formula: C19H26 B N O4
• Molecular Weight: 343.231
• Hs Code.: 2934999090
• European Community (EC) Number: 674-995-0
• DSSTox Substance ID: DTXSID40373841
• Wikidata: Q82162199
• Mol file: 777061-36-6.mol

Synonyms:777061-36-6;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-indole-1-carboxylate;1-Boc-indole-5-boronic acid pinacol ester;Tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate;1-tert-butoxycarbonylindole-5-boronic acid, pinacol ester;1-BOC-indole-5-boronic acid, pinacol ester;n-boc-indole-5-boronic acid pinacol ester;1-(tert-butyloxy-carbonyl)-indole-5-boronic acid pinacol ester;SCHEMBL484364;DTXSID40373841;WPSDWNFTICAMNI-UHFFFAOYSA-N;MFCD05663895;(1-(TERT-BUTOXYCARBONYL)-1H-INDOL-5-YL)BORONIC ACID PINACOL ESTER;AKOS015893937;AB22041;AS-2755;FT-0644873;EN300-7361340;1-Boc-indole-5-boronic acid pinacol ester, 97%;J-524725;Z1741964376;1-tert-butoxycarbonyl-indole-5-boronic acid, pinacol ester;1-(tert-Butoxycarbonyl)-1H-indole-5-boronic acid pinacol ester;tert-butyl 5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)indole-1 carboxylate;tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxa-borolan-2-yl)-1H-indole-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1 carboxylate;tert-Butyl 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1carboxylate;TERT-BUTYL 5-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE-1-CARBOXYLATE;tert-Butyl5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate;tert-Butyl5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate

Chemical Property of Tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-indole-1-carboxylate

Chemical Property:

• Vapor Pressure: 1.89E-08mmHg at 25°C
• Melting Point: 131-136 °C(lit.)
• Refractive Index: 1.524
• Boiling Point: 454.6°C at 760 mmHg
• Flash Point: 228.7°C
• PSA: 49.69000
• Density: 1.08g/cm³
• LogP: 3.72370
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 343.1954885
• Heavy Atom Count: 25
• Complexity: 512

Purity/Quality:

97% ^*data from raw suppliers

1-Boc-indole-5-boronic acid pinacol ester ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-indole-1-carboxylate

There total 12 articles about Tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-indole-1-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: 90.0%

di-tert-butyl dicarbonate (24424-99-5) + 5-(4,4,5,5,-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (269410-24-4) → 1,1-dimethylethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate (777061-36-6)

Guidance literature:

With dmap; In acetonitrile;

DOI:10.1021/jm2005942

Reference yield: 74.0%

tert-butyl 5-iodo-1H-indole-1-carboxylate (374818-66-3) + bis(pinacol)diborane (73183-34-3) → 1,1-dimethylethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate (777061-36-6)

Guidance literature:

With pyridine; C₅₀H₄₄CuN₄OP₂⁽¹⁺⁾*F₆P^(1-); N-ethyl-N,N-diisopropylamine; In water; acetonitrile; at 20 ℃; for 12h; Inert atmosphere; Irradiation;

DOI:10.1002/chem.201806345

Reference yield: 73.0%

tert-butyl 5-chloro-1H-indole-1-carboxylate (129822-48-6) + bis(pinacol)diborane (73183-34-3) → 1,1-dimethylethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate (777061-36-6)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; potassium acetate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In N,N-dimethyl-formamide; at 100 ℃; Inert atmosphere;

upstream raw materials:

bis(pinacol)diborane

5-bromo-indole-1-carboxylic acid tert-butyl ester

5-bromo-1H-indole

di-tert-butyl dicarbonate

Downstream raw materials:

5-(4,4,5,5,-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

tert‐butyl 5‐fluoroindole‐1‐carboxylate

1-(tert-butyloxycarbonyl)-1H-indol-5-ylpotassium trifluoroborates

(1-(tert-butoxycarbonyl)-1H-indol-5-yl)boronic acid

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 777061-36-6 1-TERT-BUTOXYCARBONYLINDOLE-5-BORONIC ACID, PINACOL ESTER

Send

Send

Metric Ton KG G Pound L ML

Send

Send