2,2,3-Trimethylbutane

Base Information

• Chemical Name: 2,2,3-Trimethylbutane
• CAS No.: 464-06-2
• Molecular Formula: C7H16
• Molecular Weight: 100.204
• Hs Code.: 29011000
• European Community (EC) Number: 207-346-3
• NSC Number: 73938
• UNII: 40V943JDGR
• DSSTox Substance ID: DTXSID7060047
• Nikkaji Number: J44.099J
• Wikipedia: Triptane
• Wikidata: Q209116
• ChEMBL ID: CHEMBL4297446
• Mol file: 464-06-2.mol

Synonyms:Indolylethylamines;Triptan;Triptans;Tryptamines

Chemical Property of 2,2,3-Trimethylbutane

Chemical Property:

• Appearance/Colour: Clear colorless liquid
• Vapor Pressure: 3.37 psi ( 37.7 °C)
• Melting Point: -25 °C(lit.)
• Refractive Index: n20/D 1.389(lit.)
• Boiling Point: 81.73 °C at 760 mmHg
• Flash Point: 20 °F
• PSA: 0.00000
• Density: 0.693 g/cm³
• LogP: 2.68850
• Water Solubility.: 4.38mg/L at 25℃
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 100.125200510
• Heavy Atom Count: 7
• Complexity: 45.5

Purity/Quality:

99%, ^*data from raw suppliers

2,2,3-Trimethylbutane >96.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F, Xn, N
• Hazard Codes: F,Xn,N
• Statements: 11-38-50/53-65-67
• Safety Statements: 9-16-29-33-60-61-62

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CC(C)C(C)(C)C
• Recent ClinicalTrials: Does Treximet Improve Productivity and Patient Satisfaction Due to Sustained Response and Consistency of Response?
• Uses: Organic synthesis, aviation fuel.

Technology Process of 2,2,3-Trimethylbutane

There total 119 articles about 2,2,3-Trimethylbutane 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: 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: 15.0%

methanol (67-56-1) + 2,3-dimethylbutane (79-29-8) → triptane (464-06-2) + pentamethylbenzene, (700-12-9) + Hexamethylbenzene (87-85-4)

Guidance literature:

indium (III) iodide; at 200 ℃; for 2h; Product distribution / selectivity;

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-methyl-but-2-ene

methylene chloride

methylene

2,3-dimethylbutane

Downstream raw materials:

Diethyl phosphoramidate

(1,1,2,2-Tetramethyl-propyl)-phosphoramidic acid diethyl ester

(2,2,3-Trimethyl-butyl)-phosphoramidic acid diethyl ester

(2,3,3-Trimethyl-butyl)-phosphoramidic acid diethyl ester

Refernces

• 1、 Kim et al.. "". . p. 3432. Retrieved 1978.
• 2、 -. "Preparation method of branched alkane (by machine translation)". Paragraph 0040; 0043-0047. . Retrieved 2020/01/08.
• 3、 Schaidle, Joshua A.,Ruddy, Daniel A.,Habas, Susan E.,Pan, Ming,Zhang, Guanghui,Miller, Jeffrey T.,Hensley, Jesse E.. "Conversion of dimethyl ether to 2,2,3-trimethylbutane over a Cu/BEA catalyst: Role of Cu sites in hydrogen incorporation". . p. 1794 - 1803. Retrieved 2015/03/14.