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 
• 74-85-1 ethene 
• 115-11-7 isobutene 
• 17510-46-2 3,3-dimethyl-2-(trimethylsilyl)oxy-1-butene 
• 75-83-2 2,2-Dimethylbutane 
• 13132-23-5 2,2-dimethylpropylmagnesium chloride 
• 64-17-5 ethanol 
• 5340-78-3 ethyl 3,3-dimethylbutanoate 
• 7601-90-3 perchloric acid 

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 
• 120448-50-2 3,3-dimethylbutyl p-nitrophenyl phosphate 
• 87252-86-6 Amino-phenyl-acetic acid 3,3-dimethyl-butyl ester; hydrochloride 
• 134629-47-3 C₁₃H₂₁O₂⁽¹⁸⁾O₂P 
• 75-83-2 2,2-Dimethylbutane 
• 79-29-8 2,3-dimethylbutane 
• 75-28-5 Isobutane 

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.

Chemoselective continuous-flow hydrogenation of aldehydes catalyzed by platinum nanoparticles dispersed in an amphiphilic resin

A chemoselective continuous-flow hydrogenation of aldehydes catalyzed by a dispersion of platinum nanoparticles in an amphiphilic polymer (ARP-Pt) has been developed. Aromatic and aliphatic aldehydes bearing various reducible functional groups, such as keto, ester, or amide groups, readily underwent flow hydrogenation in aqueous solutions within 22 s in a continuous-flow system containing ARP-Pt to give the corresponding primary benzylic or aliphatic alcohols in ≤99% yield with excellent chemoselectivity. Moreover, the long-term continuous-flow hydrogenation of benzaldehyde for 8 days was realized, and the total turnover number of the catalyst reached 997. The flow hydrogenation system provides an efficient and practical method for the chemoselective hydrogenation of aldehydes bearing reducible functional groups.