29212-25-7

Basic information

• Product Name: 5-TERT-BUTYL-THIOPHENE-2-CARBONYL CHLORIDE
• Synonyms: 5-(tert-Butyl)-2-carboxythiophene
• CAS NO: 29212-25-7
• Molecular Formula: C₉H₁₂O₂S
• Molecular Weight: 202.7
• Mol File: 29212-25-7.mol
• Article Data: 6

Chemical Properties

• Melting Point: 124-125 °C
• Boiling Point: 258.3°C at 760 mmHg
• Flash Point: 110°C
• Appearance: /
• Density: 1.178g/cm³
• Vapor Pressure: 0.0138mmHg at 25°C
• Refractive Index: 1.531
• PKA: 3.74±0.10(Predicted)
• CAS DataBase Reference: 5-TERT-BUTYL-THIOPHENE-2-CARBONYL CHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-TERT-BUTYL-THIOPHENE-2-CARBONYL CHLORIDE(29212-25-7)
• EPA Substance Registry System: 5-TERT-BUTYL-THIOPHENE-2-CARBONYL CHLORIDE(29212-25-7)

Safety Data

• Hazardous Substances Data: 29212-25-7(Hazardous Substances Data)

Usage

General Description

5-TERT-BUTYL-THIOPHENE-2-CARBONYL CHLORIDE is a chemical compound that belongs to the class of thienylacetyl chloride derivatives. It is a reactive compound that contains a chlorine atom and a thiophene ring with a tert-butyl substituent. This chemical is commonly used in organic synthesis as a reagent for the preparation of various pharmaceuticals, agrochemicals, and other fine chemicals. It is known for its ability to participate in a wide range of chemical reactions, including acylation, substitution, and addition reactions. 5-TERT-BUTYL-THIOPHENE-2-CARBONYL CHLORIDE is an important intermediate for the production of various compounds and is widely used in the chemical and pharmaceutical industries.

InChI:InChI=1/C9H11ClOS/c1-9(2,3)7-5-4-6(12-7)8(10)11/h4-5H,1-3H3

Upstream product

• 4302-24-3 3-chloro-4,4-dimethylpent-2-enal 
• 29582-27-2 Z-3-chloro-4,4-dimethyl-2-pentenal 
• 75-97-8 3,3-dimethyl-butan-2-one 
• 229003-19-4 methyl 5-(tert-butyl)thiophene-2-carboxylate 
• 527-72-0 2-thiophenylcarboxylic acid 
• 507-19-7 t-butyl bromide 
• 1689-78-7 2-tert-butylthiophene 
• 124-38-9 carbon dioxide 
• 29880-63-5 1-[5-(1,1-Dimethylethyl)-2-thienyl]ethanone 
• 36880-43-0 5-tert-butyl-2-thiophenaldehyde 

Downstream Products

• 1443792-20-8 tert-butyl (S)-3-(4-(5-bromopyrimidin-2-yl)phenyl)-2-(5-(tert-butyl)thiophene-2-carboxamido)propanoate 
• 1443792-42-4 methyl 2-(4-bromophenyl)-2-(5-(tert-butyl)thiophene-2-carboxamido)acetate 
• 1443790-55-3 (S)-2-(5-(tert-butyl)thiophene-2-carboxamido)-3-(4-(5-(4-(decyloxy)phenyl)-pyrimidin-2-yl)phenyl)propanoic acid 

Relevant articles and documents

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INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS

Methods of treating tumors mediated by raf kinase, with substituted urea compounds, and such compounds per se.

Substituted hexahydrobenzo[f]thieno[c]quinolines as dopamine D1- selective agonists: Synthesis and biological evaluation in vitro and in vivo

A series of substituted 9,10- dihydroxyhexahydrobenzo[f]thieno[c]quinolines (TB[f]Q), varying with respect to the position of the thiophene relative to the benzo[f]quinoline core and the nature and position of the substituent on the thiophene, were prepared and evaluated for their affinity and selectivity for the dopamine D1-like receptor. The thieno[3,2-c]B[f]Q regioisomers bearing a small alkyl (C1-C3) substituent at the 2 position were potent (K(i) 50) D1 agonists with close to full agonist activity (IA > 85%). The compounds were resolved and found to exhibit a high level of enantiospecificity in their interaction with the D1 receptor. Selected compounds were tested in vivo in the 6-OHDA rodent model of Parkinson's disease and for their liability to produce seizure-like activities in mice. (5aR)-trans-2-Propyl-4,5,5a,6,7,11b-hexahydro-3-thia-5-azacyclopent-1- ena[c]phenanthrene-9,10-diol (5) emerged as the compound with the best overall in vivo profile in terms of potency (ED50 = 0.04 μmol/kg) and safety.