23197-02-6

Basic information

• Product Name: 2-CHLOROPROPANE-1,1,1,3,3,3-D6
• Synonyms: 2-CHLOROPROPANE-1,1,1,3,3,3-D6;2-Chloropropane--d6
• CAS NO: 23197-02-6
• Molecular Formula: C₃H₇Cl
• Molecular Weight: 84.58
• Mol File: 23197-02-6.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 37.254 °C at 760 mmHg
• Appearance: /
• Density: 0.942 g/cm³
• CAS DataBase Reference: 2-CHLOROPROPANE-1,1,1,3,3,3-D6(CAS DataBase Reference)
• NIST Chemistry Reference: 2-CHLOROPROPANE-1,1,1,3,3,3-D6(23197-02-6)
• EPA Substance Registry System: 2-CHLOROPROPANE-1,1,1,3,3,3-D6(23197-02-6)

Safety Data

• Hazardous Substances Data: 23197-02-6(Hazardous Substances Data)

Usage

Description

2-Chloropropane-1,1,1,3,3,3-D6, with the CAS number 23197-02-6, is an isotopically labeled research compound. It is a variant of chloropropane where six hydrogen atoms are replaced by deuterium atoms, which are stable isotopes of hydrogen. 2-CHLOROPROPANE-1,1,1,3,3,3-D6 is primarily used in scientific research and development, particularly in the field of chemistry and biochemistry.
Usage:
Used in Research and Development:
2-Chloropropane-1,1,1,3,3,3-D6 is used as a research compound for various applications in the field of chemistry and biochemistry. The expression is: 2-Chloropropane-1,1,1,3,3,3-D6 is used as a research compound for [application reason].
Used in Chemical Synthesis:
In the chemical synthesis industry, 2-Chloropropane-1,1,1,3,3,3-D6 is used as a labeled starting material or intermediate for the synthesis of various organic compounds. The isotopically labeled compound can be used to track the incorporation of the molecule into more complex structures, providing valuable insights into reaction mechanisms and pathways. The expression is: Used in Chemical Synthesis Industry, 2-Chloropropane-1,1,1,3,3,3-D6 is used as a labeled starting material for [application reason].
Used in Biochemical Research:
In the field of biochemistry, 2-Chloropropane-1,1,1,3,3,3-D6 can be used as a labeled substrate or probe to study enzyme mechanisms, metabolic pathways, and protein interactions. The deuterium labeling allows researchers to differentiate between the labeled compound and its non-labeled counterpart, providing a means to monitor the progress of reactions and the behavior of biomolecules in biological systems. The expression is: Used in Biochemical Research, 2-Chloropropane-1,1,1,3,3,3-D6 is used as a labeled substrate for [application reason].
Used in Analytical Chemistry:
2-Chloropropane-1,1,1,3,3,3-D6 can also be employed in analytical chemistry as a reference material or internal standard for the quantification and identification of related compounds using techniques such as mass spectrometry, nuclear magnetic resonance (NMR) spectroscopy, and gas chromatography. The expression is: Used in Analytical Chemistry, 2-Chloropropane-1,1,1,3,3,3-D6 is used as a reference material for [application reason].

Upstream product

• 3976-29-2 <1,1,1,3,3,3-D(6)>-Propan-2-ol 

Downstream Products

• 479029-86-2 2-([2H₃]methyl)-4-methyl-4-phenyl[1,1,1-2H₃]pentan-3-ol 

Relevant articles and documents

Structure and properties of small molecule-polymer blend semiconductors for organic thin film transistors

A comprehensive structural and electrical characterization of solution-processed blend films of 6,13-bis(triisopropylsilylethynyl) pentacene (TIPS-pentacene) semiconductor and poly(α-methylstyrene) (PαMS) insulator was performed to understand and optimize the blend semiconductor films, which are very attractive as the active layer in solution-processed organic thin-film transistors (OTFTs). Our study, based on careful measurements of specular neutron reflectivity and grazing-incidence X-ray diffraction, showed that the blends with a low molecular-mass PαMS exhibited a strong segregation of TIPS-pentacene only at the air interface, but surprisingly the blends with a high molecular-mass PαMS showed a strong segregation of TIPS-pentacene at both air and bottom substrate interfaces with high crystallinity and desired orientation. This finding led to the preparation of a TIPS-pentacene/PαMS blend active layer with superior performance characteristics (field-effect mobility, on/off ratio, and threshold voltage) over those of neat TIPS-pentacene, as well as the solution-processability of technologically attractive bottom-gate/bottom-contact OTFT devices. Copyright

On rearrangements by cyclialkylations of arylpentanols to 2,3-dihydro-1H-indene derivatives. Part 2. An unexpected rearrangement by the acid-catalyzed cyclialkylation of 2,4-dimethyl-2-phenylpentan-3-ol under formation of trans-2,3-dihydro-1,1,2,3-tetramethyl-1H-indene

The acid catalyzed-cyclialkylation of 4-(2-chloro-phenyl)-2,4-dimethylpentan-2-ol (1) gave two products: 4-chloro-2,3-dihydro-1,1,3,3-tetramethyl-1H-indene (2) and also trans-4-chloro-2,3-dihydro-1,1,2,3-tetramethyl-1H-indene (3). A mechanism was proposed in Part 1 (cf. Scheme 1) for this unexpected rearrangement. This mechanism would mainly be supported by the result of the cyclialkylation of 2,4-dimethyl-2-phenylpentan-3-ol (4), which, with respect to the similarity of ion II in Scheme I and ion V in Scheme 2, should give only product 5. This was indeed the experimental result of this cyclialkylation. But the result of the cyclialkylation of 1,1,1,2′,2′,2′-hexadeuterated isomer [2H6]-4 of 4 (cf. Scheme 3) requires a different mechanism as for the cyclialkylation of 1. Such a mechanism is proposed in Schemes 5 and 6. It gives a satisfactory explanation of the experimental results and is supported by the result of the cyclialkylation of 2,4-dimethyl-3-phenylpentan-3-ol (9; Scheme 7). The alternative migration of a Ph or of an i-Pr group (cf. Scheme 6) is under further investigation.