3-Acetyl-2,5-dichlorothiophene CAS 36157-40-1

Introduction：Basic information about 3-Acetyl-2,5-dichlorothiophene CAS 36157-40-1, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

3-Acetyl-2,5-dichlorothiophene Basic information

• Product Name: 3-Acetyl-2,5-dichlorothiophene
• Synonyms: AKOS 1010;3-ACETYL-2,5-DICHLOROTHIOPHENE;2,5-DICHLORO-3-THIENYL METHYL KETONE;1-(2,5-DICHLORO-3-THIENYL)-1-ETHANONE;1-(2,5-DICHLORO-3-THIENYL)ETHAN-1-ONE;1-(2,5-Dichloro-3-thienyl)ethanone;1-(2,5-Dichloro-thiophen-3-yl)-ethanone;Ethanone, 1-(2,5-dichloro-3-thienyl)-
• CAS: 36157-40-1
• MF: C6H4Cl2OS
• MW: 195.07
• EINECS: 252-893-3
• Product Categories: Heterocycle-oher series;Heterocycles series;Sulphur Derivatives;Thiophene&Benzothiophene;Miscellaneous
• Mol File: 36157-40-1.mol

3-Acetyl-2,5-dichlorothiophene Chemical Properties

• Melting point: 37-40 °C (lit.)
• Boiling point: 120-122°C 4mm
• density: 1.4514 (estimate)
• Fp: >230 °F
• storage temp.: Keep in dark place,Inert atmosphere,2-8°C
• form: solid
• color: White to Yellow to Orange
• BRN: 121288
• InChI: InChI=1S/C6H4Cl2OS/c1-3(9)4-2-5(7)10-6(4)8/h2H,1H3
• InChIKey: GYFDNIRENHZKGR-UHFFFAOYSA-N
• SMILES: C(=O)(C1C=C(Cl)SC=1Cl)C
• CAS DataBase Reference: 36157-40-1(CAS DataBase Reference)
• NIST Chemistry Reference: 2,5-Dichloro-3-thienyl methyl ketone(36157-40-1)

Safety Information

• Hazard Codes: Xn,Xi
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-36-36/37/39-22-36/37
• WGK Germany: 3
• Hazard Note: Irritant
• HS Code: 29349990
• Storage Class: 11 - Combustible Solids
• Hazard Classifications: Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

3-Acetyl-2,5-dichlorothiophene Usage And Synthesis

Chemical Properties

white to light yellow crystal powder

Uses

3-Acetyl-2,5-dichlorothiophene may be used in the following syntheses:

• substituted chalcones
• AL-4623A and AL-4862 (brinzolamide), inhibitors of topical carbonic anhydrase
• 2,5-dichlorothiophene-3-carboxylic acid, which is the starting reagent required for the synthesis of 2,5-dichloro-N-(substituted amino-carbonothioyl)thiophene-3-carboxamides and 2-(substituted amino)-4H-thieno[3,2-e]-1,3-thiazin-4-ones

Definition

ChEBI: 1-(2,5-Dichloro-3-thienyl)ethan-1-one is an aromatic ketone.

Synthesis

1-Methyl-4-chlorobutenal was reacted with a strong base to remove the active hydrogen at the ??-position, then docked with thioacetyl chloride and reacted at 60-80 degrees Celsius to obtain the target product 3-acetyl-2,5-dichlorothiophene.

3-Acetyl-2,5-dichlorothiophene Preparation Products And Raw materials

• Raw materials: Ethanethioyl chloride (9CI)-->3-Penten-2-one, 5-chloro--->2,5-Dichlorothiophene-->Acetyl chloride