624-95-3

Basic information

• Product Name: 3,3-DIMETHYL-1-BUTANOL
• Synonyms: 3,3-DIMETHYL-1-BUTANOL;Dimethylbutanol;3,3-Dimethylbutanol;3,3-Dimethylbutane-1-ol;3,3-dimethyl-1-butano;3,3-dimethyl-butan-1-ol;3,3-dimethylbutan-1-ol;3,3-Dimethylbutylalcohol
• CAS NO: 624-95-3
• Molecular Formula: C₆H₁₄O
• Molecular Weight: 102.17
• EINECS: 210-872-6
• Product Categories: Alcohols;C2 to C6;Oxygen Compounds
• Mol File: 624-95-3.mol
• Article Data: 26

Chemical Properties

• Melting Point: −60 °C(lit.)
• Boiling Point: 143 °C(lit.)
• Flash Point: 118 °F
• Appearance: colorless liquid
• Density: 0.844 g/mL at 25 °C(lit.)
• Vapor Pressure: 2.2mmHg at 25°C
• Refractive Index: n20/D 1.414(lit.)
• Storage Temp.: 2-8°C
• PKA: 15.17±0.10(Predicted)
• Water Solubility: Slightly soluble in water.
• BRN: 1731466
• CAS DataBase Reference: 3,3-DIMETHYL-1-BUTANOL(CAS DataBase Reference)
• NIST Chemistry Reference: 3,3-DIMETHYL-1-BUTANOL(624-95-3)
• EPA Substance Registry System: 3,3-DIMETHYL-1-BUTANOL(624-95-3)

Safety Data

• Statements: 10
• Safety Statements: 23-24/25-23/24/25
• RIDADR: UN 1987 3/PG 3
• WGK Germany: 3
• TSCA: Yes
• HazardClass: 3.2
• PackingGroup: III
• Hazardous Substances Data: 624-95-3(Hazardous Substances Data)

Usage

Uses

3,3-Dimethyl-1-butanol, is an organic building block used for the synthesis of various pharmaceutical compounds. It is an important intermediate in the synthesis of Neotame, an enhanced sweetening agent.

General Description

3,3-Dimethyl-1-butanol is a glass forming material. The molecular dynamics of 3,3-dimethyl-1-butanol was studied.

InChI:InChI=1/C6H14O/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3

Upstream product

• 1647-23-0 3,3-dimethylbutyl bromide 
• 558-37-2 tert-butylethylene 
• 2987-16-8 3,3-dimethylbutyrylaldehyde 
• 75-21-8 oxirane 
• 677-22-5 tert-butylmagnesium chloride 
• 50632-96-7 sulfuric acid mono-(3,3-dimethyl-butyl) ester 
• 5340-78-3 ethyl 3,3-dimethylbutanoate 
• 1070-83-3 tert-Butylacetic acid 
• 2855-08-5 1-chloro-3,3-dimethylbutane 
• 107-21-1 ethylene glycol 
• 74-85-1 ethene 
• 115-11-7 isobutene 
• 27843-27-2 2-chloro-3,3-dimethyl-1-butene 
• 6300-00-1 1,2-dibromo-4,4-dimethyl-pentane 

Downstream Products

• 660-21-9 methyl-phosphonic acid-(3,3-dimethyl-butyl ester)-fluoride 
• 1647-23-0 3,3-dimethylbutyl bromide 
• 463-82-1 2,2-dimethylpropane 
• 2855-08-5 1-chloro-3,3-dimethylbutane 
• 1070-83-3 tert-Butylacetic acid 
• 75-83-2 2,2-Dimethylbutane 
• 79-29-8 2,3-dimethylbutane 
• 75-28-5 Isobutane 
• 478184-38-2 2,6-bis(3,3-dimethyl-1-butyloxy)benzaldehyde 
• 2987-16-8 3,3-dimethylbutyrylaldehyde 

Relevant articles and documents

Production process 3 and 3 - dimethyl butyraldehyde

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

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.

A 3, 3 - dimethyl butyl preparation method (by machine translation)

The invention discloses a 3, 3 - dimethyl butyl preparation of the preparation method, characterized in that in the ethanol, 3, 3 - dimethyl butyric acid under the acid catalysis ester, then under the action of the borohydride one pot method to obtain the final product 3, 3 - dimethyl-butanol. This invention abolishes the existing literature reports of flammable and explosive reagent (such as lithium aluminum hydride) and a solvent (such as ethyl ether) reaction conditions; in addition, the invention uses the one pot method to obtain the final product, high yield, purity is good, the price of raw materials used low, source is wide, the final product cost, applied to industrial production. (by machine translation)