5-(2-Methyl-1,3-thiazol-4-yl)thiophene-2-carbaldehyde

Base Information

• Chemical Name: 5-(2-Methyl-1,3-thiazol-4-yl)thiophene-2-carbaldehyde
• CAS No.: 499770-66-0
• Molecular Formula: C9H7NOS2
• Molecular Weight: 209.293
• Hs Code.: 2934999090
• European Community (EC) Number: 814-202-9
• DSSTox Substance ID: DTXSID90380106
• Wikidata: Q82170168
• Mol file: 499770-66-0.mol

Synonyms:499770-66-0;5-(2-Methyl-1,3-thiazol-4-yl)-2-thiophenecarbaldehyde;5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carbaldehyde;5-(2-Methyl-1,3-thiazol-4-yl)thiophene-2-carboxaldehyde;5-(2-Methylthiazol-4-yl)thiophene-2-carbaldehyde;SCHEMBL15008586;DTXSID90380106;OTEBKLSFEFZNAG-UHFFFAOYSA-N;ZUA77066;MFCD02682090;AKOS026675483;PS-4288;CS-0323054;FT-0619588;A929379;J-516130;5-(2-Methyl-1,3-thiazol-4-yl)-thiophene-2-carbaldehyde;5-(2-methyl-1,3-thiazol-4-yl)-2-thiophenecarbaldehyde, AldrichCPR

Chemical Property of 5-(2-Methyl-1,3-thiazol-4-yl)thiophene-2-carbaldehyde

Chemical Property:

• Vapor Pressure: 5.89E-06mmHg at 25°C
• Melting Point: 127 °C
• Refractive Index: 1.661
• Boiling Point: 379.4°Cat760mmHg
• PKA: 2.12±0.10(Predicted)
• Flash Point: 183.2°C
• PSA: 86.44000
• Density: 1.351g/cm³
• LogP: 2.99250
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 208.99690619
• Heavy Atom Count: 13
• Complexity: 200

Purity/Quality:

98%min ^*data from raw suppliers

5-(2-Methyl-1,3-thiazol-4-yl)thiophene-2-carboxaldehyde ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=CS1)C2=CC=C(S2)C=O

Technology Process of 5-(2-Methyl-1,3-thiazol-4-yl)thiophene-2-carbaldehyde

There total 5 articles about 5-(2-Methyl-1,3-thiazol-4-yl)thiophene-2-carbaldehyde 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:

[5-(2-methyl-1,3-thiazol-4-yl)-2-thienyl] methanol (337508-70-0) → 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxaldehyde (499770-66-0)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; at 20 ℃; for 6h;

Reference yield:

5-acetylthiophene-2-carboxylic acid (4066-41-5) → 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxaldehyde (499770-66-0)

Guidance literature:

Multi-step reaction with 5 steps

1: thionyl chloride / N,N-dimethyl-formamide / 5 h / Reflux

2: copper(ll) bromide / ethyl acetate / 8 h / Reflux

3: N,N-dimethyl-formamide / 6 h / Reflux

4: lithium aluminium tetrahydride / tetrahydrofuran / 1.5 h / 0 - 5 °C

5: manganese(IV) oxide / dichloromethane / 6 h / 20 °C

With manganese(IV) oxide; lithium aluminium tetrahydride; thionyl chloride; copper(ll) bromide; In tetrahydrofuran; dichloromethane; ethyl acetate; N,N-dimethyl-formamide;

Reference yield:

methyl 5-acetyl-2-thiophenecarboxylate (4101-81-9) → 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxaldehyde (499770-66-0)

Guidance literature:

Multi-step reaction with 4 steps

1: copper(ll) bromide / ethyl acetate / 8 h / Reflux

2: N,N-dimethyl-formamide / 6 h / Reflux

3: lithium aluminium tetrahydride / tetrahydrofuran / 1.5 h / 0 - 5 °C

4: manganese(IV) oxide / dichloromethane / 6 h / 20 °C

With manganese(IV) oxide; lithium aluminium tetrahydride; copper(ll) bromide; In tetrahydrofuran; dichloromethane; ethyl acetate; N,N-dimethyl-formamide;

upstream raw materials:

5-acetylthiophene-2-carboxylic acid

methyl 5-acetyl-2-thiophenecarboxylate

2-bromo-1-(5-methoxycarbonylthiophen-2-yl)-ethanone

5-(2-methylthiazol-4-yl)thiophen-2-carboxylic acid methyl ester

Downstream raw materials:

2-(5-(2-methylthiazol-4-yl)thiophen-2-yl)-3-phenyl-2,3-dihydroquinazolin-4(1H)-one

1-methyl-2-(5-(2-methylthiazol-4-yl)thiophen-2-yl)-3-phenyl-2,3-dihydroquinazolin-4(1H)-one

6-fluoro-1-methyl-2-(5-(2-methylthiazol-4-yl)thiophen-2-yl)-3-phenyl-2,3-dihydroquinazolin-4(1H)-one

Refernces