Tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)indoline-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)indoline-1-carboxylate
• CAS No.: 837392-67-3
• Molecular Formula: C19H28BNO4
• Molecular Weight: 345.24
• Hs Code.: 2934999090
• European Community (EC) Number: 854-753-2
• DSSTox Substance ID: DTXSID90593976
• Wikidata: Q82488647
• Mol file: 837392-67-3.mol

Synonyms:837392-67-3;TERT-BUTYL 5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)INDOLINE-1-CARBOXYLATE;1-Boc-indoline-5-boronic acid pinacol ester;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindole-1-carboxylate;MFCD12408237;tert-butyl 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole-1-carboxylate;2,3-Dihydro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylic Acid tert-Butyl E;2,3-Dihydro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylic Acid tert-Butyl Ester;tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole-1-carboxylate;OOORQXGLIKPNDK-UHFFFAOYSA-N;SCHEMBL868675;DTXSID90593976;FD6054;(1-(TERT-BUTOXYCARBONYL)INDOLIN-5-YL)BORONIC ACID PINACOL ESTER;AKOS022168276;AB65598;AM87227;AS-2761;CS-W011890;AC-26246;SY287643;1-Boc-5-indolineboronic Acid Pinacol Ester;DB-363379;EN300-398637;Z2044739901;TERT-BUTYL5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)INDOLINE-1-CARBOXYLATE;1,1-DIMETHYLETHYL 5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2,3-DIHYDRO-1H-INDOLE-1-CARBOXYLATE;1H-INDOLE-1-CARBOXYLIC ACID, 2,3-DIHYDRO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, 1,1-DIMETHYLETHYL ESTER;2 pound not3-Dihydro-5-(4 pound not4 pound not5 pound not5-tetramethyl-1 pound not3 pound not2-dioxaborolan-2-yl)-1H-indole-1-carboxylic Acid tert-Butyl Ester

Chemical Property of Tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)indoline-1-carboxylate

Chemical Property:

• Boiling Point: 448.9±44.0 °C(Predicted)
• PKA: 0.30±0.20(Predicted)
• PSA: 48.00000
• Density: 1.11±0.1 g/cm3(Predicted)
• LogP: 3.34840
• Solubility.: Soluble in dichloromethane, ethyl acetate and methanol.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 345.2111385
• Heavy Atom Count: 25
• Complexity: 512

Purity/Quality:

97% ^*data from raw suppliers

2,3-Dihydro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylicAcidtert-ButylEster ^*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(C=C2)N(CC3)C(=O)OC(C)(C)C
• Uses: 1-Boc-indoline-5-boronic acid pinacol ester is used as disinfector, tanning agent.

Technology Process of Tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)indoline-1-carboxylate

There total 6 articles about Tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)indoline-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: 100.0%

→ 1,1-dimethylethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole-1-carboxylate (837392-67-3)

Guidance literature:

Reference yield: 82.8%

tert-butyl 5-bromoindoline-1-carboxylate (261732-38-1) + bis(pinacol)diborane (73183-34-3) → 1,1-dimethylethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole-1-carboxylate (837392-67-3)

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate; In 1,4-dioxane; at 100 ℃; for 18h; Inert atmosphere;

DOI:10.1021/jm300713s

Reference yield:

5-bromoindoline (22190-33-6) → 1,1-dimethylethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole-1-carboxylate (837392-67-3)

Guidance literature:

Multi-step reaction with 2 steps

1: dmap / acetonitrile / 3.17 h / 20 °C

2: potassium acetate / dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂ / 1,4-dioxane / 18 h / 100 °C / Inert atmosphere

With potassium acetate; dmap; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; In 1,4-dioxane; acetonitrile;

upstream raw materials:

5-bromoindoline

di-tert-butyl dicarbonate

tert-butyl 5-bromoindoline-1-carboxylate

bis(pinacol)diborane

Downstream raw materials:

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

1,1-dimethylethyl 5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indole-1-carboxylate

1-(5-{4-amino-7-ethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2,3-dihydro-1H-indol-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethan-1-one

7-methyl-5-{1-[(2,3,5-trifluorophenyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine

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