3-Methylthiophene-2-carbonyl chloride

Base Information

• Chemical Name: 3-Methylthiophene-2-carbonyl chloride
• CAS No.: 61341-26-2
• Molecular Formula: C6H5ClOS
• Molecular Weight: 160.624
• Hs Code.: 29349990
• European Community (EC) Number: 627-385-3
• DSSTox Substance ID: DTXSID80372176
• Nikkaji Number: J2.840.088H
• Wikidata: Q72491470
• Mol file: 61341-26-2.mol

Synonyms:3-Methylthiophene-2-carbonyl chloride;61341-26-2;3-Methyl-2-thiophenecarbonyl chloride;3-Methylthiophene-2-carbonylchloride;3-Methyl-2-thenoyl Chloride;3-Methyl-thiophene-2-carbonyl chlor;3-methylthenoyl chloride;3-methyl-2-thienoyl chloride;SCHEMBL158997;3-methylthiophenecarbonylchloride;3-methylthiophenecarbonyl chloride;DTXSID80372176;AJSVPEVDFBYRCH-UHFFFAOYSA-N;GEO-01954;MFCD00130091;AKOS005255226;3-Methyl-thiophene-2-carbonyl chloride;AS-17288;3-Methylthiophene-2-carbonyl chloride, 97%;FT-0616188;M1711;3-methyl-thiophene-2-carboxylic acid chloride;D91524;W-200458;1,3-diphenyl-2-(tetrahydro-2H-pyran-2-yl)propane-1,3-dione

Chemical Property of 3-Methylthiophene-2-carbonyl chloride

Chemical Property:

• Appearance/Colour: clear colorless to pale yellow liquid
• Vapor Pressure: 0.116mmHg at 25°C
• Refractive Index: n20/D 1.586(lit.)
• Boiling Point: 219.9 °C at 760 mmHg
• Flash Point: 86.8 °C
• PSA: 45.31000
• Density: 1.32 g/cm³
• LogP: 2.43550
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Sensitive.: Moisture Sensitive
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 159.9749636
• Heavy Atom Count: 9
• Complexity: 126

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Methylthiophene-2-carbonyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-29
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(SC=C1)C(=O)Cl

Technology Process of 3-Methylthiophene-2-carbonyl chloride

There total 4 articles about 3-Methylthiophene-2-carbonyl chloride 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: 88.0%

3-methyl-2-thiophenecarboxylic acid (23806-24-8) → 3-methylthenoyl chloride (61341-26-2)

Guidance literature:

With thionyl chloride; for 2h; Heating;

DOI:10.1039/b415587d

Reference yield:

potassium 3-methylthiophene-2-carboxylate → 3-methylthenoyl chloride (61341-26-2)

Guidance literature:

With oxalyl dichloride; In N,N-dimethyl-formamide; benzene; for 1h; Ambient temperature;

DOI:10.1021/jo9703459

Reference yield:

→ 3-methylthenoyl chloride (61341-26-2)

Guidance literature:

With phosphorus pentachloride;

upstream raw materials:

3-methyl-2-thiophenecarboxylic acid

Downstream raw materials:

3-methyl-thiophene-2-carboxylic acid biphenyl-4-ylamide

2-acetyl-3-methylthiophene

3-methyl-thiophene-2-carboxylic acid anilide

methyl 3-methylthiophene-2-carboxylate

Refernces

• 1、 Plant, Andrew,Chadwick, Derek J.. "A Directed Metalation Approach to 2-Trialkylammoniomethyl-3-(trimethylsilylmethyl)-thiophene Iodides: Precursors to 2,3-Bis(methylene)-2,3-dihydrothiophene". . p. 915 - 917. Retrieved 1990.
• 2、 Agrawal, Arush,G?tze, Jan P.,Golz, Paul,Hopkinson, Matthew N.,Mavroskoufis, Andreas,Rajes, Keerthana,Ru?, Vincent. "N-Heterocyclic Carbene Catalyzed Photoenolization/Diels–Alder Reaction of Acid Fluorides". supporting information. p. 3190 - 3194. Retrieved 2020/01/24.
• 3、 Garnica, Pablo,Encío, Ignacio,Plano, Daniel,Palop, Juan A.,Sanmartín, Carmen. "Combined Acylselenourea-Diselenide Structures: New Potent and Selective Antitumoral Agents as Autophagy Activators". supporting information. p. 306 - 311. Retrieved 2018/04/20.