3-(2-Thienyl)benzaldehyde

Base Information

• Chemical Name: 3-(2-Thienyl)benzaldehyde
• CAS No.: 103668-99-1
• Molecular Formula: C11H8OS
• Molecular Weight: 188.25
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90401522
• Nikkaji Number: J1.857.010F
• Wikidata: Q72508507
• Mol file: 103668-99-1.mol

Synonyms:103668-99-1;3-(2-Thienyl)benzaldehyde;3-thien-2-ylbenzaldehyde;3-(thiophen-2-yl)benzaldehyde;3-Thiophen-2-yl-benzaldehyde;3-thiophen-2-ylbenzaldehyde;SCHEMBL3438289;3-(Thiophen-2-yl)-benzaldehyde;DTXSID90401522;NTHCVKPOWDMRGY-UHFFFAOYSA-N;MFCD04038019;AKOS000124657;NCGC00373943-01;BB 0222526;CS-0440302;FT-0642539;EN300-729553;W-204503

Chemical Property of 3-(2-Thienyl)benzaldehyde

Chemical Property:

• Appearance/Colour: Light yellow powder
• Vapor Pressure: 0.000172mmHg at 25°C
• Refractive Index: 1.637
• Boiling Point: 330 °C at 760 mmHg
• Flash Point: 123.8 °C
• PSA: 45.31000
• Density: 1.207 g/cm³
• LogP: 3.22760
• Storage Temp.: 2-8°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 188.02958605
• Heavy Atom Count: 13
• Complexity: 181

Purity/Quality:

98% or more ^*data from raw suppliers

3-Thien-2-ylbenzaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/22-36/37/38
• Safety Statements: 22-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C2=CC=CS2)C=O

Technology Process of 3-(2-Thienyl)benzaldehyde

There total 10 articles about 3-(2-Thienyl)benzaldehyde 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: 98.0%

2-Iodothiophene (3437-95-4,149762-92-5) + 3-Formylphenylboronic acid (87199-16-4) → 1-(3-thiophen-2'yl)-phenylcarboxaldehyde (103668-99-1)

Guidance literature:

With potassium fluoride; palladium; In methanol; for 4h; Heating;

DOI:10.1039/b101470f

Reference yield: 95.0%

bis(thien-2-yl)zinc (15106-95-3) + 3-bromobenzaldehyde diethylacetal (75148-49-1) → 1-(3-thiophen-2'yl)-phenylcarboxaldehyde (103668-99-1)

Guidance literature:

With dichloro{bis[1-(dicyclohexylphosphanyl)piperidine]}palladium(II); In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; at 100 ℃; for 2h; In air;

DOI:10.1002/chem.201001201

Reference yield: 93.0%

→ 1-(3-thiophen-2'yl)-phenylcarboxaldehyde (103668-99-1)

Guidance literature:

upstream raw materials:

6-(2-thienyl)-2-oxatricyclo<2.2.2.0^3,5>octan-6-ol

2-Iodothiophene

3-Formylphenylboronic acid

thiophene

Downstream raw materials:

C₁₈H₁₈O₃S

N-(2-nitrophenyl)-4-((3-(thiophen-2-yl)benzylamino)methyl)benzamide