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

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.

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

Upstream product

• 75-21-8 oxirane 
• 677-22-5 tert-butylmagnesium chloride 
• 1647-23-0 3,3-dimethylbutyl bromide 
• 558-37-2 tert-butylethylene 
• 2855-08-5 1-chloro-3,3-dimethylbutane 
• 2987-16-8 3,3-dimethylbutyrylaldehyde 
• 1070-83-3 tert-Butylacetic acid 
• 74-85-1 ethene 
• 115-11-7 isobutene 
• 50-00-0 formaldehyd 
• 13132-23-5 2,2-dimethylpropylmagnesium chloride 
• 17510-46-2 3,3-dimethyl-2-(trimethylsilyl)oxy-1-butene 
• 6918-10-1 tris-(3,3-dimethyl-butyl)-aluminium 
• 2259-30-5 tert-butylmagnesium bromide 

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 
• 60361-93-5 3,3-dimethylbutyl 3,5-dinitrobenzoate 
• 55504-69-3 (3,3-Dimethyl-butoxysulfonyl)-phenyl-acetic acid 
• 2987-16-8 3,3-dimethylbutyrylaldehyde 
• 3124-38-7 3,3-dimethylbutyl carbamate 
• 120448-50-2 3,3-dimethylbutyl p-nitrophenyl phosphate 
• 155388-64-0 2-Hydroxy-5-nitro-benzoic acid 3,3-dimethyl-butyl ester 
• 87252-98-0 3-Amino-3-phenyl-propionic acid 3,3-dimethyl-butyl ester; hydrochloride 
• 142763-93-7 N,O-bis(phenoxycarbonyl)-N-(3,3-dimethyl-1-butyl)hydroxylamine 
• 74401-45-9 1-(3,3-dimethylbutoxy)-4-nitrobenzene 

Relevant articles and documents

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.

Reactions of carbene-stabilized borenium cations

In this paper we probe the reactivity of the borenium cations [C3H2(NCH2C6H4)(NCH2Ph)BH][B(C6F5)4] 2 and [C3H2(NCH2C6H4)2B][B(C6F5)4] 3. The reactions of 2 with cyclohexene or 3,3-dimethyl-1-butene gave the alkyl-aryl borenium salts [PhCH2(CHN)2CCH2C6H4BR][B(C6F5)4] (R = Cy 4, CH2CH2tBu 5) while the corresponding reactions with diphenylacetylene, 1-hexyne and 1-phenyl-1-propyne gave the aryl-alkenyl borenium cation salts [PhCH2(CHN)2CCH2C6H4BC(R1)C(H)R2][B(C6F5)4] (R1 = R2 = Ph 6, R1 = H, R2 = C4H97, R1 = Me, R2 = Ph 8a, R1 = Ph, R2 = Me 8b). In contrast, the reaction of 2 with ethynyldiphenylphosphane or 2-vinylpyridine lead to the formation of the adducts, [PhCH2(CHN)2CCH2C6H4B(H)P(Ph2)CCH][B(C6F5)4] 9, [PhCH2(CHN)2CCH2C6H4B(H)NC5H4C(H)CH2][B(C6F5)4] 10, respectively, while the more bulky donor H2CC(Ph)PMes2 gave 1,2-hydroboration of the phosphinoalkene affording [PhCH2(CHN)2CCH2C6H4BCH2CH(Ph)PMes2][B(C6F5)4] 11. In another vein of reactivity, one or two equivalents of the FLP, PtBu3/B(C6F5)3 is shown to react with 3 to give the zwitterionic borenium-borate species [C2H2(NCH(BC(CHNCH2C6H4)2)C6H4)(NCH(B(C6F5)3)C6H4)CB] 12 and the anionic bis-borate species[tBu3PH][C2H2(NCH(B(C6F5)3)2C6H4)2CB] 13. The implications of these findings are discussed.

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)