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2-Ethynylthiophene

2-Ethynylthiophene structure

2-Ethynylthiophene 

structure
  • CAS No:

    4298-52-6

  • Formula:

    C6H4S

  • Chemical Name:

    2-Ethynylthiophene

  • Synonyms:

    2-ETHYNYLTHIOPHENE;TIMTEC-BBSBB008821;(2-Thienyl)acetylene;2-Acetylenylthiophene;(Thien-2-yl)acetylene;2-Ethynylthiophene90%;2-Ethynylthiophene95+%;Thiophene,2-ethynyl-(6CI,7CI,8CI,9CI)

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

Description

Clear yellow liquid


2-Ethynylthiophene is a heteroarene.

2-Ethynylthiophene Basic Attributes

108.16

108.003372

DTXSID40412961

29349990

Characteristics

28.2

1.9

1.08

70℃/20Torr

42℃

n20/D1.580

StoreCold

Safety Information

3

UN 1993C 3 / PGIII

3

10-36/37/38-36

16-23-26-36/37/39

Xi

Irritant

P305 + P351 + P338

H302-H319

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 41 companies from 3 notifications to the ECHA C&L Inventory.

2-Ethynylthiophene Use and Manufacturing

2-[(trimethylsilyl)ethynyl]thiophene (1 mmol), inorganic base potassium tert-butoxide (sodium) or potassium hydroxide (sodium) or potassium trimethylsilylate (sodium) (0.05 mmol), 2 mL of DMA or DMSO solvent was sequentially added to a 10 mL sealed tube and heated and stirred in a 60° C. oil bath for 6 hours. The progress of the reaction was followed by TLC. The reaction was completed and an equivalent of mesitylene or n-undecane was added to the crude product. The exact yield of the product was determined by GC and GC-MS. According to GC and GC-MS, when DMSO is used as a reaction solvent, inorganic base potassium tert-butoxide (sodium) or potassium hydroxide (sodium) or potassium trimethylsilylate (sodium) is used as a catalyst, and the yields of the products are as follows: 59percent, 66percent, 75percent, 77percent, 92percent, 85percent. When DMA was used as the reaction solvent, the inorganic potassium tert-butoxide (sodium) or potassium hydroxide (sodium) or potassium trimethylsilylate (sodium) was used as a catalyst, and the yield of the product was: 51percent, 60percent, respectively. 67percent, 70percent, 81percent, 72percent.

Computed Properties

Molecular Weight:108.16
XLogP3:1.9
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:108.00337130
Monoisotopic Mass:108.00337130
Topological Polar Surface Area:28.2
Heavy Atom Count:7
Complexity:98
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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