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624-95-3

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624-95-3 Usage

Description

3,3-Dimethyl-1-butanol, also known as a glass-forming material, is an organic compound with the molecular formula C6H14O. It is characterized by its molecular dynamics, which have been studied extensively. 3,3-DIMETHYL-1-BUTANOL serves as a crucial building block in the synthesis of various pharmaceutical compounds and is particularly notable as an important intermediate in the production of Neotame, a potent sweetening agent.

Uses

Used in Pharmaceutical Synthesis:
3,3-Dimethyl-1-butanol is used as an organic building block for the synthesis of various pharmaceutical compounds. Its versatile chemical structure allows it to be a key component in the development of new drugs and medications.
Used in the Sweetener Industry:
3,3-Dimethyl-1-butanol is used as an intermediate in the synthesis of Neotame, an enhanced sweetening agent. Its role in the production of this high-intensity sweetener makes it a valuable compound in the food and beverage industry, where there is a constant demand for innovative and improved taste-enhancing products.
Used in Material Science:
As a glass-forming material, 3,3-dimethyl-1-butanol has potential applications in material science. Its molecular dynamics make it an interesting subject for research, with possible uses in the development of new materials with unique properties, such as improved strength, flexibility, or thermal stability.

Check Digit Verification of cas no

The CAS Registry Mumber 624-95-3 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,2 and 4 respectively; the second part has 2 digits, 9 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 624-95:
(5*6)+(4*2)+(3*4)+(2*9)+(1*5)=73
73 % 10 = 3
So 624-95-3 is a valid CAS Registry Number.
InChI:InChI=1/C6H14O/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3

624-95-3 Well-known Company Product Price

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  • Alfa Aesar

  • (H30194)  3,3-Dimethyl-1-butanol, 97%   

  • 624-95-3

  • 10g

  • 1163.0CNY

  • Detail
  • Alfa Aesar

  • (H30194)  3,3-Dimethyl-1-butanol, 97%   

  • 624-95-3

  • 50g

  • 4009.0CNY

  • Detail

624-95-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 3,3-Dimethyl-1-Butanol

1.2 Other means of identification

Product number -
Other names 1-Butanol, 3,3-dimethyl-

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:624-95-3 SDS

624-95-3Relevant articles and documents

Production process 3 and 3 - dimethyl butyraldehyde

-

Paragraph 0031; 0034; 0036; 0038; 0040; 0042, (2020/11/13)

The invention belongs to the technical field of chemical synthesis and particularly relates to a production technology of 3,3-dimethylbutyraldehyde. The production technology sequentially comprises the following steps: S1, taking tert-butyl alcohol and ethylene as raw materials, taking n-hexane as a reaction solvent, and catalyzing by using sulfuric acid to synthesize 3,3-dimethyl butyl sulfate; S2, under the action of the catalyst, controlling the temperature to be 30 to 50 DEG C and hydrolyzing to obtain 3,3-dimethylbutanol; S3, performing catalyzed oxidation on the 3,3-dimethylbutanol by using an inhibitor 701 and dimethylethyl nitrite to obtain the 3,3-dimethylbutyraldehyde. The production technology has the advantages of safety, reliability, low cost, good reproducibility and high purity of a final product.

Pd-Catalyzed intermolecular C-H bond arylation reactions: Effect of bulkiness of carboxylate ligands

Tanji, Yutaka,Hamaguchi, Ryo,Tsuji, Yasushi,Fujihara, Tetsuaki

supporting information, p. 3843 - 3846 (2020/04/15)

A bulky carboxylic acid bearing one 1-adamantylmethyl and two methyl substituents at the α-position is demonstrated to work as an efficient carboxylate ligand source in Pd-catalyzed intermolecular C(sp2)-H bond arylation reactions. The reactions proceeded smoothly under mild conditions, taking advantage of the steric bulk of the carboxylate ligands.

Failure and Redemption of Statistical and Nonstatistical Rate Theories in the Hydroboration of Alkenes

Bailey, Johnathan O.,Singleton, Daniel A.

supporting information, p. 15710 - 15723 (2017/11/14)

Our previous work found that canonical forms of transition state theory incorrectly predict the regioselectivity of the hydroboration of propene with BH3 in solution. In response, it has been suggested that alternative statistical and nonstatistical rate theories can adequately account for the selectivity. This paper uses a combination of experimental and theoretical studies to critically evaluate the ability of these rate theories, as well as dynamic trajectories and newly developed localized statistical models, to predict quantitative selectivities and qualitative trends in hydroborations on a broader scale. The hydroboration of a series of terminally substituted alkenes with BH3 was examined experimentally, and a classically unexpected trend is that the selectivity increases as the alkyl chain is lengthened far from the reactive centers. Conventional and variational transition state theories can predict neither the selectivities nor the trends. The canonical competitive nonstatistical model makes somewhat better predictions for some alkenes but fails to predict trends, and it performs poorly with an alkene chosen to test a specific prediction of the model. Added nonstatistical corrections to this model make the predictions worse. Parametrized Rice-Ramsperger-Kassel-Marcus (RRKM)-master equation calculations correctly predict the direction of the trend in selectivity versus alkene size but overpredict its magnitude, and the selectivity with large alkenes remains unpredictable with any parametrization. Trajectory studies in explicit solvent can predict selectivities without parametrization but are impractical for predicting small changes in selectivity. From a lifetime and energy analysis of the trajectories, "localized RRKM-ME" and "competitive localized noncanonical" rate models are suggested as steps toward a general model. These provide the best predictions of the experimental observations and insight into the selectivities.

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