753-89-9 Usage
Description
1-Chloro-2,2-dimethylpropane, also known as 2,2-dimethylpropyl chloride, is an organic compound with the chemical formula C5H11Cl. It is a colorless liquid with a chlorinated branched alkane structure, featuring a quaternary carbon center. 1-CHLORO-2,2-DIMETHYLPROPANE is characterized by its reactivity in various chemical reactions, particularly in the SN2 reaction, and its potential applications in different industries.
Uses
1. Used in Chemical Synthesis:
1-Chloro-2,2-dimethylpropane is used as a reactant in the SN2 (Substitution Nucleophilic Bimolecular) reaction for alkyl chlorides with Cl-. This reaction is significant in organic chemistry, as it allows for the formation of various organic compounds by replacing a leaving group (in this case, Cl-) with a nucleophile.
2. Used in Computational Chemistry:
1-Chloro-2,2-dimethylpropane has been utilized as a substrate to perform quantum mechanics calculations on LinB, a 33-kDa haloalkane dehalogenase from Sphingomonas paucimobilis UT26. These calculations help researchers study the active site conformations and protonation states of the enzyme, which are crucial for understanding its catalytic activity and potential applications in biotechnology and pharmaceuticals.
3. Used in the IMOMO (Integrated MO MO) Method for Large Systems:
1-CHLORO-2,2-DIMETHYLPROPANE is also employed in the IMOMO method, which is a computational approach used for studying large molecular systems. This method aids in understanding the behavior and properties of complex molecules, which can be beneficial for various applications, including drug design and materials science.
Check Digit Verification of cas no
The CAS Registry Mumber 753-89-9 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 7,5 and 3 respectively; the second part has 2 digits, 8 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 753-89:
(5*7)+(4*5)+(3*3)+(2*8)+(1*9)=89
89 % 10 = 9
So 753-89-9 is a valid CAS Registry Number.
InChI:InChI=1/C5H11Cl/c1-5(2,3)4-6/h4H2,1-3H3
753-89-9Relevant articles and documents
Stephenson et al.
, p. 4184,4187 (1972)
A mild method for the replacement of a hydroxyl group by halogen. 1. Scope and chemoselectivity
Munyemana, Fran?ois,George, Isabelle,Devos, Alain,Colens, Alain,Badarau, Eduard,Frisque-Hesbain, Anne-Marie,Loudet, Aurore,Differding, Edmond,Damien, Jean-Marie,Rémion, Jeanine,Van Uytbergen, Jacqueline,Ghosez, Léon
, p. 420 - 430 (2015/12/31)
α-Chloro-, bromo- and iodoenamines, which are readily prepared from the corresponding isobutyramides have been found to be excellent reagents for the transformation of a wide variety of alcohols or carboxylic acids into the corresponding halides. Yields are high and conditions are very mild thus allowing for the presence of sensitive functional groups. The reagents can be easily tuned allowing therefore the selective monohalogenation of polyhydroxylated molecules. The scope and chemoselectivity of the reactions have been studied and reaction mechanisms have been proposed.
Trichloroisocynuric acid/DMF as efficient reagent for chlorodehydration of alcohols under conventional and ultrasonic conditions
Venkana, Purugula,Kumar, Mukka Satish,Rajanna, Kamatala Chinna,Ali, Mir Moazzam
, p. 97 - 103 (2014/11/07)
A new and efficient method for the chlorodehydration of alcohols utilizing TCCA/DMF is described. Various alcohols can be converted smoothly into their corresponding alkyl chlorides in high yields under mild conditions with short reaction times. Taylor & Francis Group, LLC.
