(5-(tert-Butoxycarbonyl)thiophen-2-yl)boronic acid

Base Information

• Chemical Name: (5-(tert-Butoxycarbonyl)thiophen-2-yl)boronic acid
• CAS No.: 925921-29-5
• Molecular Formula: C₉H₁₃BO₄S
• Molecular Weight: 228.077
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20701209
• Wikidata: Q82632809
• Mol file: 925921-29-5.mol

Synonyms:925921-29-5;(5-(tert-Butoxycarbonyl)thiophen-2-yl)boronic acid;5-TERT-BUTOXYCARBONYLTHIOPHENE-2-BORONIC ACID;5-(tert-butoxycarbonyl)thiophen-2-ylboronic acid;[5-[(2-methylpropan-2-yl)oxycarbonyl]thiophen-2-yl]boronic acid;[5-(tert-Butoxycarbonyl)thiophen-2-yl]boronic acid;SCHEMBL14100228;DTXSID20701209;LKQDOTUUIDJQFS-UHFFFAOYSA-N;AKOS016001022;BS-29767;CS-0175394;FT-0737418;(5-tert-butoxycarbonyl-2-thienyl)boronic acid;A844284;5-TERT-BUTOXYCARBONYLTHIOPHENE-2-BORONICACID;J-516405;{5-[(tert-butoxy)carbonyl]thiophen-2-yl}boronic acid

Chemical Property of (5-(tert-Butoxycarbonyl)thiophen-2-yl)boronic acid

Chemical Property:

• Boiling Point: 391.051 °C at 760 mmHg
• Flash Point: 190.301 °C
• PSA: 95.00000
• Density: 1.248 g/cm³
• LogP: 0.38320
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 228.0627602
• Heavy Atom Count: 15
• Complexity: 239

Purity/Quality:

99% ^*data from raw suppliers

5-tert-Butoxycarbonylthiophene-2-boronicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: B(C1=CC=C(S1)C(=O)OC(C)(C)C)(O)O
• Uses: 5-tert-Butoxycarbonylthiophene-2-boronic Acid is used as a reactant in the synthesis of oxotetrahydrofuropyrrolyl derivatives as cathepsin inhibitors.

Technology Process of (5-(tert-Butoxycarbonyl)thiophen-2-yl)boronic acid

There total 1 articles about (5-(tert-Butoxycarbonyl)thiophen-2-yl)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: 56.0%

2-bromothiophene-5-carboxylic acid tert-butyl ester (62224-20-8) + Triisopropyl borate (5419-55-6) → (5-(tert-butoxycarbonyl)thiophen-2-yl)boronic acid (925921-29-5)

Guidance literature:

2-bromothiophene-5-carboxylic acid tert-butyl ester; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 0.5h;

Triisopropyl borate; In tetrahydrofuran; for 2h;

With water; ammonium chloride; In tetrahydrofuran; at 20 ℃;

upstream raw materials:

2-bromothiophene-5-carboxylic acid tert-butyl ester

Triisopropyl borate

Refernces