Methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate

Base Information

• Chemical Name: Methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate
• CAS No.: 916138-13-1
• Molecular Formula: C12H17 B O4 S
• Molecular Weight: 268.14
• Hs Code.: 2934999090
• European Community (EC) Number: 899-432-8
• DSSTox Substance ID: DTXSID50475401
• Nikkaji Number: J2.609.002D
• Wikidata: Q82305914
• Mol file: 916138-13-1.mol

Synonyms:916138-13-1;Methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate;5-(Methoxycarbonyl)thiophene-2-boronic acid, pinacol ester;5-(METHOXYCARBONYL)THIOPHENE-2-BORONIC ACID PINACOL ESTER;MFCD09952057;SCHEMBL1234104;DTXSID50475401;LMWIOYXSRDMVLD-UHFFFAOYSA-N;AKOS015950100;MB08265;PS-12996;SY023399;CS-0175353;FT-0645439;EN300-202945;Z1258930118;(5-(METHOXYCARBONYL)THIOPHEN-2-YL)BORONIC ACID PINACOL ESTER;2-Thiophenecarboxylicacid,5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-,methyl ester;METHYL 5-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)THIOPHENE-2-CARBOXYLATE

Chemical Property of Methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate

Chemical Property:

• Vapor Pressure: 8.33E-06mmHg at 25°C
• Boiling Point: 374.5°C at 760 mmHg
• Flash Point: 180.3°C
• PSA: 73.00000
• Density: 1.18g/cm³
• LogP: 1.83390
• Storage Temp.: Keep in dark place,Sealed in dry,Store in freezer, under -20°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 268.0940604
• Heavy Atom Count: 18
• Complexity: 329

Purity/Quality:

97% ^*data from raw suppliers

5-(Methoxycarbonyl)thiophene-2-boronicacid,pinacolester ^*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=CC=C(S2)C(=O)OC
• Uses: 5-(Methoxycarbonyl)thiophene-2-boronic acid, pinacol ester

Technology Process of Methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate

There total 6 articles about Methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-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%

5-bromo-2-thiophenecarboxylic acid methyl ester (62224-19-5) + bis(pinacol)diborane (73183-34-3) → 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylic acid methyl ester (916138-13-1)

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate; In 1,4-dioxane; at 90 ℃; for 3h; Inert atmosphere;

Reference yield: 97.0%

thiophene-2-carboxylic acid methyl ester (5380-42-7) + 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane (25015-63-8) → 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylic acid methyl ester (916138-13-1)

Guidance literature:

With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; 4,4'-di-tert-butyl-2,2'-bipyridine; In tetrahydrofuran; at 70 ℃; for 16h; Inert atmosphere;

DOI:10.3762/bjoc.15.227

Reference yield: 74.0%

thiophene-2-carboxylic acid methyl ester (5380-42-7) + bis(pinacol)diborane (73183-34-3) → 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylic acid methyl ester (916138-13-1) + methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate (1227664-10-9) + methyl 3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate (1227664-26-7)

Guidance literature:

With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; In hexane; at 70 ℃; for 4h; regioselective reaction; Inert atmosphere;

DOI:10.1021/jo100352b

upstream raw materials:

thiophene-2-carboxylic acid methyl ester

4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane

bis(pinacol)diborane

2,3-dimethyl-2,3-butane diol

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