2-(4-Methoxybenzoyl)thiophene

Base Information

• Chemical Name: 2-(4-Methoxybenzoyl)thiophene
• CAS No.: 4160-63-8
• Molecular Formula: C12H10O2S
• Molecular Weight: 218.276
• Hs Code.: 29349990
• European Community (EC) Number: 223-997-6
• NSC Number: 151248
• UNII: 4QQ887QUG7
• DSSTox Substance ID: DTXSID70194425
• Nikkaji Number: J224.960J
• Wikidata: Q72489229
• ChEMBL ID: CHEMBL583291
• Mol file: 4160-63-8.mol

Synonyms:2-(4-Methoxybenzoyl)thiophene;4160-63-8;(4-methoxyphenyl)(thiophen-2-yl)methanone;(4-methoxyphenyl)-thiophen-2-ylmethanone;2-(p-Methoxybenzoyl)thiophene;p-Anisyl thiophen-2-yl ketone;NSC-151248;methanone, (4-methoxyphenyl)-2-thienyl-;4-methoxyphenyl 2-thienyl ketone;CHEMBL583291;EINECS 223-997-6;(4-methoxyphenyl)(2-thienyl)methanone;NSC151248;2-Thienyl p-anisyl ketone;BIDD:GT0545;4QQ887QUG7;SCHEMBL3157724;DTXSID70194425;Ketone, p-methoxyphenyl 2-thienyl;BDBM50300125;MFCD00005440;(4-Methoxyphenyl)-2-thienylmethanone;AKOS009157374;AC-4587;NSC 151248;AS-64984;A6856;CS-0215553;FT-0608657;M2395;D91596;EN300-26008508;J-506029;Z385420850

Chemical Property of 2-(4-Methoxybenzoyl)thiophene

Chemical Property:

• Appearance/Colour: white to brownish fluffy crystalline powder
• Vapor Pressure: 8.52E-05mmHg at 25°C
• Melting Point: 74-75 °C(lit.)
• Refractive Index: 1.599
• Boiling Point: 357.5 °C at 760 mmHg
• Flash Point: 170 °C
• PSA: 54.54000
• Density: 1.205 g/cm³
• LogP: 2.98770
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 218.04015073
• Heavy Atom Count: 15
• Complexity: 222

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Methoxybenzoyl)thiophene ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=O)C2=CC=CS2

Technology Process of 2-(4-Methoxybenzoyl)thiophene

There total 41 articles about 2-(4-Methoxybenzoyl)thiophene 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%

thiophene (188290-36-0,8014-23-1,25233-34-5) + 4-methoxy-benzoyl chloride (100-07-2) → 2-(4-methoxybenzoyl)thiophene (4160-63-8)

Guidance literature:

tin(IV) chloride; In dichloromethane; at 23 ℃; for 5h;

DOI:10.1002/chem.200600958

Reference yield: 93.0%

thiophene (188290-36-0,8014-23-1,25233-34-5) + 4-methoxybenzoic acid (100-09-4) → 2-(4-methoxybenzoyl)thiophene (4160-63-8)

Guidance literature:

With pyridin-2-yl trifluoromethanesulfonate; trifluoroacetic acid; for 4h; Heating;

DOI:10.1246/bcsj.61.455

Reference yield: 92.0%

2-Thiophenecarbonyl chloride (5271-67-0) + methoxybenzene (100-66-3) → 2-(4-methoxybenzoyl)thiophene (4160-63-8)

Guidance literature:

With iron(III) oxide; at 20 ℃; for 0.333333h; regioselective reaction;

DOI:10.1002/adsc.201000319

upstream raw materials:

thiophene

4-methoxy-benzoyl chloride

4-hydroxyphenyl thien-2-yl ketone

methyl iodide

Downstream raw materials:

1-(4-methoxy-phenyl)-2-phenyl-1-[2]thienyl-ethanol

2<(4-Methoxyphenyl)methyl>thiophene

4-hydroxyphenyl thien-2-yl ketone

2-Methanesulfinyl-1-(4-methoxy-phenyl)-1-thiophen-2-yl-ethanol