3-Thiophenecarbonyl chloride

Base Information

• Chemical Name: 3-Thiophenecarbonyl chloride
• CAS No.: 41507-35-1
• Molecular Formula: C5H3ClOS
• Molecular Weight: 146.597
• Hs Code.: 2934999090
• European Community (EC) Number: 255-420-9
• UNII: EPT4LKL45Z
• DSSTox Substance ID: DTXSID40194391
• Nikkaji Number: J320.094I
• Wikidata: Q72508816
• Mol file: 41507-35-1.mol

Synonyms:3-Thiophenecarbonyl chloride;41507-35-1;thiophene-3-carbonyl chloride;3-Thenoyl chloride;3-Thiophenecarbonylchloride;3-Thiophenecarboxylic acid chloride;EINECS 255-420-9;3-Thiophenzoyl Chloride;3-thienylcarbonyl chloride;EPT4LKL45Z;3-thiophene carbonyl chloride;SCHEMBL642102;3-CHLOROCARBONYLTHIOPHENE;HYDROCOTARNINEHYDROBROMIDE;DTXSID40194391;QTWBEVAYYDZLQL-UHFFFAOYSA-N;AMY28736;thiophene-3-carboxylic acid chloride;MFCD00130090;Thiophene-3-carbonyl chloride, 97%;AKOS000281429;AT17064;BP-10038;CS-10914;FT-0616407;EN300-212163;A825573;J-513114;F2190-0160

Chemical Property of 3-Thiophenecarbonyl chloride

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.42mmHg at 25°C
• Melting Point: 50 °C
• Refractive Index: 1.576
• Boiling Point: 195.4 °C at 760 mmHg
• Flash Point: 72 °C
• PSA: 45.31000
• Density: 1.391 g/cm³
• LogP: 2.12710
• Storage Temp.: 2-8°C
• Sensitive.: Moisture Sensitive
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 145.9593136
• Heavy Atom Count: 8
• Complexity: 105

Purity/Quality:

99% ^*data from raw suppliers

Thiophene-3-carbonyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,F
• Statements: 34-29-14-11
• Safety Statements: 26-36/37/39-8-45-30-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC=C1C(=O)Cl

Technology Process of 3-Thiophenecarbonyl chloride

There total 10 articles about 3-Thiophenecarbonyl 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: 97.0%

3-Thiophene carboxylic acid (88-13-1) → 3-thiophene carboxylic acid chloride (41507-35-1)

Guidance literature:

With oxalyl dichloride; In dichloromethane; for 1.91667h; Inert atmosphere; Reflux;

DOI:10.1021/ol1027927

Reference yield: 90.0%

3-thienyl iodide (10486-61-0) + terephthaloyl chloride (100-20-9) → 3-thiophene carboxylic acid chloride (41507-35-1) + 4-iodobenzoic acid chloride (1711-02-0)

Guidance literature:

With (Xantphos)Pd(4-C₆H₄NO₂)(I); In benzene; at 90 ℃; for 20h; Sealed tube; Inert atmosphere;

DOI:10.1021/jacs.8b06605

Reference yield:

3-thienyl iodide (10486-61-0) + 4-nitro-benzoyl chloride (122-04-3) → 3-thiophene carboxylic acid chloride (41507-35-1) + p-nitrobenzene iodide (636-98-6)

Guidance literature:

With (Xantphos)Pd(4-C₆H₄NO₂)(I); In benzene; at 90 ℃; for 20h; Sealed tube; Inert atmosphere;

DOI:10.1021/jacs.8b06605

upstream raw materials:

3-Thiophene carboxylic acid

Dichloromethyl methyl ether

N-cyclohexyl-cyclohexanamine

oxalyl dichloride

Downstream raw materials:

ethyl-3 thiophene acetate

thiophen-2-yl-thiophen-3-yl-methanone

Thiophene-3-carboxylic acid N'-(5-chloro-2-nitro-phenyl)-hydrazide

(dimethyl(phenyl)silyl)(thiophen-2-yl)methanone

Refernces

• 1、 Arcoria,Fisichella. "-". . p. 3774,3775. Retrieved 1973.
• 2、 Mao, Shiying,Wu, Chengyu,Gao, Yanqing,Hao, Jin,He, Xiaohua,Tao, Pan,Li, Jian,Shang, Shibin,Song, Zhanqian,Song, Jie. "Pine Rosin as a Valuable Natural Resource in the Synthesis of Fungicide Candidates for Controlling Fusarium oxysporum on Cucumber". . p. 6475 - 6484. Retrieved 2021/06/28.
• 3、 Isshiki, Ryota,Kurosawa, Miki B.,Muto, Kei,Yamaguchi, Junichiro. "Ni-Catalyzed Aryl Sulfide Synthesis through an Aryl Exchange Reaction". supporting information. p. 10333 - 10340. Retrieved 2021/07/21.