3-Formyl-4-thiopheneboronic acid

Base Information

• Chemical Name: 3-Formyl-4-thiopheneboronic acid
• CAS No.: 4347-32-4
• Molecular Formula: C5H5BO3S
• Molecular Weight: 155.97
• Hs Code.: 2934999090
• European Community (EC) Number: 695-551-2
• DSSTox Substance ID: DTXSID00400581
• Nikkaji Number: J3.327.983C
• Wikidata: Q72479487
• Mol file: 4347-32-4.mol

Synonyms:4347-32-4;3-FORMYL-4-THIOPHENEBORONIC ACID;(4-formylthiophen-3-yl)boronic Acid;3-FORMYLTHIOPHENE-4-BORONIC ACID;4-formylthiophen-3-ylboronic acid;(4-FORMYL-3-THIENYL)BORONIC ACID;Boronic acid, (4-formyl-3-thienyl)-;4-formyl-3-thienylboronic acid;SCHEMBL1129009;DTXSID00400581;LVLCWVAVXNPOFF-UHFFFAOYSA-N;(4-formylthiophen-3-yl)boronicAcid;MFCD01319006;AKOS005256474;AB08820;AT16895;BS-22548;CS-0174495;FT-0635243;EN300-378342;A826291;J-512574;Z1198156713

Chemical Property of 3-Formyl-4-thiopheneboronic acid

Chemical Property:

• Vapor Pressure: 1.72E-06mmHg at 25°C
• Refractive Index: 1.573
• Boiling Point: 381.212 °C at 760 mmHg
• PKA: 7.91±0.53(Predicted)
• Flash Point: 184.351 °C
• PSA: 85.77000
• Density: 1.412 g/cm³
• LogP: -0.75960
• Storage Temp.: 0-6°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 156.0052454
• Heavy Atom Count: 10
• Complexity: 130

Purity/Quality:

98%min ^*data from raw suppliers

3-Formyl-4-thiopheneboronicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CSC=C1C=O)(O)O

Technology Process of 3-Formyl-4-thiopheneboronic acid

There total 1 articles about 3-Formyl-4-thiopheneboronic 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: 95.0%

3-bromo-4-thiophenecarbaldehyde ethylene acetal (66830-19-1) → (4-formylthiophen-3-yl)boronic acid (4347-32-4)

Guidance literature:

3-bromo-4-thiophenecarbaldehyde ethylene acetal; With n-butyllithium; In tetrahydrofuran; toluene; at -78 - 20 ℃; for 5h;

With hydrogenchloride; water; In tetrahydrofuran; toluene; for 1h;

Reference yield: 98.0%

(4-formylthiophen-3-yl)boronic acid (4347-32-4) → potassium 4-formylthiophene-3-trifluoroborate

Guidance literature:

With potassium hydrogenfluoride; In methanol; water; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1021/ol901395c

Reference yield: 92.0%

2-bromophenyl methyl ketone (2142-69-0) + (4-formylthiophen-3-yl)boronic acid (4347-32-4) → 4-(2-acetylphenyl)thiophene-3-carbaldehyde (1149344-93-3)

Guidance literature:

With potassium fluoride; palladium diacetate; di‐tert‐butyl‐(1‐phenylindol‐2‐yl)phosphane; In tetrahydrofuran; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1021/jo900508z

upstream raw materials:

3-bromo-4-thiophenecarbaldehyde ethylene acetal

Downstream raw materials:

3-(3-nitropyridin-2-yl)-4-thiophenecarbaldehyde

2-methyl-2H-thieno[3,4-d][1,2,3]diazaborinin-1-ol

C₃₅H₃₅NO₈S

4-(2-acetylphenyl)thiophene-3-carbaldehyde

Refernces