2,5-Dichlorothiophene-3-carbaldehyde

Base Information

• Chemical Name: 2,5-Dichlorothiophene-3-carbaldehyde
• CAS No.: 61200-60-0
• Molecular Formula: C5H2Cl2OS
• Molecular Weight: 181.042
• Hs Code.: 2934999090
• European Community (EC) Number: 830-171-4
• DSSTox Substance ID: DTXSID80383883
• Wikidata: Q82175690
• Mol file: 61200-60-0.mol

Synonyms:2,5-dichlorothiophene-3-carbaldehyde;61200-60-0;2,5-Dichlorothiophene-3-carboxaldehyde;3-Thiophenecarboxaldehyde, 2,5-dichloro-;2,5-Dichloro-3-formylthiophene;SCHEMBL396244;DTXSID80383883;PTHQASYUHZFSKR-UHFFFAOYSA-N;MFCD01571097;AKOS009157589;DS-1201;A8495;AM20100489;CS-0019249;FT-0610333;EN300-244708;2,5-DICHLOROTHIOPHENE-3-CARBALDEHYDE, 97;Z1190318839

Chemical Property of 2,5-Dichlorothiophene-3-carbaldehyde

Chemical Property:

• Melting Point: 24.0-24.5 °C
• Boiling Point: 229.8 °C at 760 mmHg
• Flash Point: 92.8 °C
• PSA: 45.31000
• Density: 1.581 g/cm³
• LogP: 2.86740
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 179.9203412
• Heavy Atom Count: 9
• Complexity: 120

Purity/Quality:

98% or more ^*data from raw suppliers

2,5-dichlorothiophene-3-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Hazard Codes: Xn:Harmful
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(SC(=C1C=O)Cl)Cl

Technology Process of 2,5-Dichlorothiophene-3-carbaldehyde

There total 6 articles about 2,5-Dichlorothiophene-3-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: 87.0%

2,5-diclorothiophene (3172-52-9,173777-89-4) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2,5-dichlorothiophene-4-carboxaldehyde (61200-60-0)

Guidance literature:

2,5-diclorothiophene; With 2,2,6,6-tetramethylpiperidinylmagnesium chloride lithium chloride complex; In tetrahydrofuran; at 25 ℃; for 0.05h;

N,N-dimethyl-formamide; In tetrahydrofuran; at 25 ℃; for 0.00361111h;

DOI:10.1002/anie.201404221

Reference yield: 50.0%

2,5-diclorothiophene (3172-52-9,173777-89-4) + Dichloromethyl methyl ether (4885-02-3) → 2,5-dichlorothiophene-4-carboxaldehyde (61200-60-0)

Guidance literature:

With tin(IV) chloride; In dichloromethane;

Reference yield:

2,5-diclorothiophene (3172-52-9,173777-89-4) → 2,5-dichlorothiophene-4-carboxaldehyde (61200-60-0)

Guidance literature:

With titanium tetrachloride; In dichloromethane; at -15 - -10 ℃; for 1.33333h;

upstream raw materials:

2-chlorothiophene-3-carboxaldehyde

2,5-diclorothiophene

Dichloromethyl methyl ether

N,N-dimethyl-formamide

Downstream raw materials:

2,5-dichloro-thiophene-3-carbaldehyde thiosemicarbazone

2,5-dichlorothiophene-3-carboxylic acid

Refernces

• 1、 -. "Aminoguanidine hydrazone derivatives, process for producing the same and drugs thereof". Page column 105. . Retrieved 2010/11/29.
• 2、 Belen'kii, Leonid I.,Gromova, Galina P.,Krayushkin, Mikhail M.. "PROTONATION AND ELECTROPHILIC TRICHLOROMETHYLATION OF 2,5- AND 2,4-DICHLOROTHIOPHENES". . p. 365 - 368. Retrieved 2007/10/02.