40894-00-6 Usage
Description
3-Bromo-2,2-dimethyl-1-propanol is an organic compound with the molecular formula C5H11BrO. It is a colorless liquid at room temperature and is characterized by its bromine atom attached to a tertiary carbon, which is adjacent to two methyl groups. This structural feature makes it a versatile intermediate in organic synthesis.
Uses
Used in the Synthesis of 3-Bromo-2,2-dimethylpropanal:
3-Bromo-2,2-dimethyl-1-propanol is used as a starting material for the synthesis of 3-bromo-2,2-dimethylpropanal. The conversion is achieved through an oxidation reaction using pyridinium chlorochromate (PCC) as the oxidizing agent. This reaction is typically carried out in a solvent such as dichloromethane, and the process can be facilitated by the addition of silica to improve the reaction rate and yield.
In the Chemical Industry:
3-Bromo-2,2-dimethyl-1-propanol serves as a valuable building block for the creation of various organic compounds, particularly those requiring a bromine atom at a tertiary carbon position. Its use in the chemical industry is diverse, as it can be further functionalized or used as a precursor for the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals.
In the Pharmaceutical Industry:
As an intermediate in the synthesis of complex organic molecules, 3-Bromo-2,2-dimethyl-1-propanol can be used in the development of new drugs. Its unique structural features make it a candidate for the creation of novel pharmaceutical compounds with potential applications in various therapeutic areas.
In the Agrochemical Industry:
3-Bromo-2,2-dimethyl-1-propanol can also be utilized in the agrochemical sector for the development of new pesticides, herbicides, or other crop protection agents. Its bromine-containing structure may provide specific biological activities that can be exploited in the design of effective and targeted agrochemical products.
In the Synthesis of Fine Chemicals:
3-Bromo-2,2-dimethyl-1-propanol can be employed in the production of fine chemicals, such as fragrances, dyes, and other specialty chemicals. Its unique structural features can contribute to the development of new products with improved properties or novel applications in various industries.
Check Digit Verification of cas no
The CAS Registry Mumber 40894-00-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,0,8,9 and 4 respectively; the second part has 2 digits, 0 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 40894-00:
(7*4)+(6*0)+(5*8)+(4*9)+(3*4)+(2*0)+(1*0)=116
116 % 10 = 6
So 40894-00-6 is a valid CAS Registry Number.
InChI:InChI=1/C5H11BrO/c1-5(2,3-6)4-7/h7H,3-4H2,1-2H3
40894-00-6Relevant articles and documents
TREATMENT OF DRY EYE
-
Page/Page column 106; 107, (2014/02/16)
The present disclosure provides a method of treating dry eye by inhibition of Bruton's tyrosine kinase (hereinafter "BTK") inhibitors, pharmaceutical formulations comprising the same, and processes for preparing such compounds.
Mild one-step synthesis of dibromo compounds from cyclic ethers
Billing, Peter,Brinker, Udo H.
, p. 11227 - 11231 (2013/02/23)
A novel one-step method for mildly converting cyclic ethers into dibromo compounds is reported. Alcohols, oximes, aldehydes, and ketones are known to react under Appel or Corey-Fuchs reaction conditions, but apparently these have never been applied to oxetanes or larger cyclic ethers. Treatment of 3,3-dimethyloxetane (1) with tetrabromomethane and triphenylphosphine gave the corresponding dibromo compound 1,3-dibromo-2,2-dimethylpropane (2). The less-strained homologue oxolane (6) was also reacted giving 1,4-dibromobutane (7) in a 93% yield. Mechanistic interpretations are offered to explain the observed reaction rates of the conversions described.
Cyclic Trimerization of Oxetanes
Dale, Johannes,Fredriksen, Siw B.
, p. 82 - 91 (2007/10/02)
Conditions for obtaining the optimum yield of the cyclic trimer in the cationic oligomerization of oxetanes have been determined.At moderate dilution (0.05 M) with catalytic quantities of BF3 in CH2Cl2, the yield of the cyclic trimer (1,5,9-trioxacyclododecane) from oxetane could be increased to 50percent at the expense of the cyclic tetramer (1,5,9,13-tetraoxacyclohexadecane), 12percent, and polymer.In contrast, 3,3-dimethyloxetane consumed the BF3 catalyst, which had to be renewed, producing, in a slow reaction, a homologous series of fluorohydrins, together with cyclic oligoethers.The fluorohydrins cyclized if treated with gaseous BF3 before work-up, boosting the isolated yields to 20percent cyclic trimer and 8percent cyclic tetramer.With PF5 in CH2Cl2 the catalyst was stable and the reaction fast, and no fluorohydrins were formed; no cyclic trimer but 73percent cyclic tetramer could be isolated.Other solvents (benzene, CHCl=CCl2, CH2ClCH2Cl), other catalysts (SbF5, AlEt3) and other oxetanes (3-methoxymethyl-3-methyloxetane, 3-halomethyl-3-methyloxetane) were also examined.
