42513-36-0

Basic information

• Product Name: 12-CHLORO-5-DODECYNE
• Synonyms: 12-CHLORO-5-DODECYNE;12-chlorododec-5-yne;n-Butyl 6-chlorohexyl acetylene;1-Chloro-7-Dodecyne;12-Chloro-5-dodecyne,98%
• CAS NO: 42513-36-0
• Molecular Formula: C₁₂H₂₁Cl
• Molecular Weight: 200.75
• EINECS: 255-864-3
• Mol File: 42513-36-0.mol

Chemical Properties

• Boiling Point: 265.2°Cat760mmHg
• Flash Point: 109.3°C
• Appearance: /
• Density: 0.907g/cm³
• Vapor Pressure: 0.0153mmHg at 25°C
• Refractive Index: 1.458
• CAS DataBase Reference: 12-CHLORO-5-DODECYNE(CAS DataBase Reference)
• NIST Chemistry Reference: 12-CHLORO-5-DODECYNE(42513-36-0)
• EPA Substance Registry System: 12-CHLORO-5-DODECYNE(42513-36-0)

Safety Data

• TSCA: Yes
• Hazardous Substances Data: 42513-36-0(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
12-Chloro-5-dodecyne is utilized as a building block in organic synthesis for the creation of various complex organic molecules.
Used in Pharmaceutical Production:
12-Chloro-5-dodecyne is used as a key intermediate in the synthesis of pharmaceuticals, contributing to the development of new drugs and medicines.
Used in Agrochemical Production:
12-Chloro-5-dodecyne serves as a precursor in the production of agrochemicals, which are essential for agricultural applications such as pest control and crop protection.
Used in Material Science:
It is employed in the development of materials like polymers and surfactants, which have a wide range of applications in industries such as plastics, textiles, and detergents.
Used in Research and Development:
12-Chloro-5-dodecyne is also used as a reagent in research and development for conducting various chemical reactions and processes, further expanding its utility in both academic and industrial settings.

InChI:InChI=1/C12H21Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-4,7-12H2,1H3

Upstream product

• 109-65-9 1-bromo-butane 
• 24088-97-9 8-chloro-oct-1-yne 
• 105205-80-9 C₁₃H₂₈BClO 
• 693-02-7 hex-1-yne 
• 6294-17-3 1-bromo-6-chlorohexane 

Downstream Products

• 42513-39-3 12-chloro-dodec-5c-ene 
• 14959-86-5 (Z)-7-dodecenyl acetate 

Relevant articles and documents

Vinylic Organoboranes. 5. An Improved, Convenient Synthesis of Unsymmetrical Alkynes via Iodination of Lithium Alkynyl "Ate" Complexes of Thexylalkylborinates

The transfer reaction induced by iodination of lithium alkynyl "ate" complexes of organoboranes represents a novel route to unsymmetrical alkynes.Several potential "blocking" groups were examined in order to achieve the selective migration of one primary alkyl group and thereby increase the efficiency of this process.Best results were obtained with the combined use of the thexyl and methoxy moieties as "blocking" groups in this reaction.The required thexylalkylborinate intermediates were conveniently prepared in high yield from thexylchloroborane via hydroboration and methanolysis.Subsequent complexation with an appropriate lithium alkyne, followed by iodination, produced the desired unsymmetrical alkyne in high yield.Minimum amounts of the product resulting from competitive migration of the thexyl group were observed.Under these conditions, an efficient utilization of a primary alkyl group in this transfer reaction is achieved.Furthermore, the high tolerance of thexylchloroborane toward many functional groups and its high regioselectivity in terminal alkene hydroboration produces intermediates that are particularly useful for the synthesis of insect pheromones and not readily accessible via conventional organometallic procedures.