2,3-Dimethylbutane

Base Information

• Chemical Name: 2,3-Dimethylbutane
• CAS No.: 79-29-8
• Molecular Formula: C6H14
• Molecular Weight: 86.1772
• European Community (EC) Number: 201-193-6
• NSC Number: 24837
• UN Number: 2457
• UNII: 68ISQ7A432
• DSSTox Substance ID: DTXSID9025112
• Nikkaji Number: J4.230G
• Wikipedia: 2,3-Dimethylbutane
• Wikidata: Q209178
• ChEMBL ID: CHEMBL1344453
• Mol file: 79-29-8.mol

Synonyms:2,3-dimethylbutane

Chemical Property of 2,3-Dimethylbutane

Chemical Property:

• Appearance/Colour: clear, colorless liquid
• Vapor Pressure: 220mmHg at 25°C
• Melting Point: -129 °C
• Boiling Point: 58 °C(lit.)
• Flash Point: ?28 °F
• PSA: 0.00000
• Density: 0.662 g/mL at 25 °C(lit.)
• LogP: 2.29840
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 86.109550447
• Heavy Atom Count: 6
• Complexity: 21
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Flammable, dangerous fire and explosion risk.
• Hazard Codes: F:Highly flammable
• Statements: R11:Highly flammable.; R38:Irritating to skin.; R51/53:Toxic to aquatic organisms, may cause long-term adverse eff
• Safety Statements: S16:Keep away from sources of ignition - No smoking.; S29:Do not empty into drains.; S33:Take precautionary measur

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CC(C)C(C)C

Technology Process of 2,3-Dimethylbutane

There total 227 articles about 2,3-Dimethylbutane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 28.2%

O,O-diethyl azidophosphate (1516-68-3) → Diethyl phosphoramidate (1068-21-9) + 2,3-dimethylbutane (79-29-8) + (1,1,2-Trimethyl-propyl)-phosphoramidic acid diethyl ester (123150-70-9) + (2,3-Dimethyl-butyl)-phosphoramidic acid diethyl ester (123150-71-0)

Guidance literature:

In various solvent(s); at 22 ℃; Irradiation;

DOI:10.1021/ja00203a021

Reference yield: 16.7%

methanol (67-56-1) → 2,4-dimethylpentane (108-08-7) + 2,3-dimethyl pentane (565-59-3) + Isobutane (75-28-5,40921-86-6) + methylbutane (78-78-4) + 3-methylpentane (96-14-0) + 2-Methylpentane (107-83-5) + 2,3-dimethylbutane (79-29-8) + triptane (464-06-2) + 1,2,4,5-tetramethylbenzene (95-93-2) + 1,2,3,5-Tetramethylbenzene (527-53-7) + pentamethylbenzene, (700-12-9) + Hexamethylbenzene (87-85-4)

Guidance literature:

With isopropyl alcohol; indium (III) iodide; at 200 ℃; for 2 - 3h;

Reference yield: 10.7%

methanol (67-56-1) → Isobutane (75-28-5,40921-86-6) + methylbutane (78-78-4) + 3-methylpentane (96-14-0) + 2-Methylpentane (107-83-5) + 2,3-dimethylbutane (79-29-8) + triptane (464-06-2) + pentamethylbenzene, (700-12-9) + Hexamethylbenzene (87-85-4)

Guidance literature:

With isopropyl alcohol; indium (III) iodide; at 200 ℃; for 2 - 3h; Product distribution / selectivity;

upstream raw materials:

2-iodo-propane

triethylsilane

1-chloro-3,3-dimethylbutane

phosgene

Downstream raw materials:

2-chloro-2,3-dimethylbutane

2,3-dimethyl pentane

triptane

2,3-dimethyl-1-nitro-butane

Refernces

• 1、 Silveira, Edson T.,Umpierre, Alexandre P.,Rossi, Liane M.,Machado, Giovanna,Morais, Jonder,Soares, Gabriel V.,Baumvol, Israel J. R.,Teixeira, Sergio R.,Fichtner, Paulo F. P.,Dupont, Jairton. "The partial hydrogenation of benzene to cyclohexene by nanoscale ruthenium catalysts in imidazolium ionic liquids". . p. 3734 - 3740. Retrieved 2004.
• 2、 Lindeman,Annis. "". . p. 1742,1747. Retrieved 1960.
• 3、 Cvejanovich,Demmon. "". . p. 65,67, 72. Retrieved 1960.
• 4、 Yanagisawa, Chikako,Yamazoe, Seiji,Sunada, Yusuke. "Silylene-Bridged Tetranuclear Palladium Cluster as a Catalyst for Hydrogenation of Alkenes and Alkynes". . p. 169 - 173. Retrieved 2020/10/29.
• 5、 Wang, Yong,Cao, Xinyi,Zhao, Leyao,Pi, Chao,Ji, Jingfei,Cui, Xiuling,Wu, Yangjie. "Generalized Chemoselective Transfer Hydrogenation/Hydrodeuteration". supporting information. p. 4119 - 4129. Retrieved 2020/08/10.