1-(tert-Butoxycarbonyl)pyrrole-3-boronic acid

Base Information

• Chemical Name: 1-(tert-Butoxycarbonyl)pyrrole-3-boronic acid
• CAS No.: 832697-40-2
• Molecular Formula: C9H14 B N O4
• Molecular Weight: 211.025
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70593914
• Wikidata: Q82488553

Synonyms:832697-40-2;1-(tert-Butoxycarbonyl)pyrrole-3-boronic acid;1-Boc-1H-pyrrole-3-boronic Acid;(1-(tert-Butoxycarbonyl)-1H-pyrrol-3-yl)boronic acid;1-N-BOC-PYRROLE-3-BORONIC ACID;[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-3-yl]boronic acid;MFCD08234379;1H-Pyrrole-1-carboxylicacid, 3-borono-, 1-(1,1-dimethylethyl) ester (9CI);{1-[(tert-butoxy)carbonyl]-1H-pyrrol-3-yl}boronic acid;[1-(tert-Butoxycarbonyl)-1H-pyrrol-3-yl]boronic acid;1-BOC-pyrrole-3-boronic acid;SCHEMBL1668950;1-Boc-1H-pyrrole-3-boronicAcid;DTXSID70593914;AC1014;AKOS015838294;1-N-BOC-PYRROLE-3-BORONICACID;MB05388;CS-12822;SY225621;CS-0175397;A902891;1-(tert-butoxycarbonyl)-1h-pyrrol-3-ylboronic acid;1-(TERT-BUTOXYCARBONYL)PYRROL-3-YLBORONIC ACID

Chemical Property of 1-(tert-Butoxycarbonyl)pyrrole-3-boronic acid

Chemical Property:

• PSA: 71.69000
• LogP: -0.04890
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 211.1015881
• Heavy Atom Count: 15
• Complexity: 239

Purity/Quality:

97% ^*data from raw suppliers

1-(tert-Butoxycarbonyl)pyrrole-3-boronicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CN(C=C1)C(=O)OC(C)(C)C)(O)O

Technology Process of 1-(tert-Butoxycarbonyl)pyrrole-3-boronic acid

There total 1 articles about 1-(tert-Butoxycarbonyl)pyrrole-3-boronic 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: 47.0%

Trimethyl borate (121-43-7,63156-11-6) + 3-bromopyrrole-l-carboxylic acid tert-butyl ester (475561-75-2) → (1-(tert-butoxycarbonyl)-1H-pyrrol-3-yl)boronic acid (832697-40-2)

Guidance literature:

3-bromopyrrole-l-carboxylic acid tert-butyl ester; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.333333h; Inert atmosphere;

Trimethyl borate; With methanol; In tetrahydrofuran; hexane; at -78 ℃; for 0.0833333h; Inert atmosphere;

DOI:10.1021/jo502467m

Reference yield: 94.0%

(1-(tert-butoxycarbonyl)-1H-pyrrol-3-yl)boronic acid (832697-40-2) + 2-bromo-N-(tert-butoxycarbonyl)aniline (78839-75-5) → tert-butyl 3-(2-((tert-butoxycarbonyl)amino)phenyl)-1H-pyrrole-1-carboxylate

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In ethanol; toluene; at 80 ℃; Inert atmosphere;

DOI:10.1021/jo502467m

Reference yield: 81.0%

tert-butyl N-(2-bromo-5-fluorophenyl)carbamate (861931-75-1) + (1-(tert-butoxycarbonyl)-1H-pyrrol-3-yl)boronic acid (832697-40-2) → tert-butyl 3-(2-((tert-butoxycarbonyl)amino)-4-fluorophenyl)-1H-pyrrole-1-carboxylate

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In ethanol; toluene; at 80 ℃; Inert atmosphere;

DOI:10.1021/jo502467m

upstream raw materials:

Trimethyl borate

3-bromopyrrole-l-carboxylic acid tert-butyl ester

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