2-Chloro-2,3-dimethylbutane

Base Information

• Chemical Name: 2-Chloro-2,3-dimethylbutane
• CAS No.: 594-57-0
• Molecular Formula: C6H13 Cl
• Molecular Weight: 120.622
• DSSTox Substance ID: DTXSID40208124
• Nikkaji Number: J94.882I
• Wikidata: Q83082217
• Mol file: 594-57-0.mol

Synonyms:2-Chloro-2,3-dimethylbutane;594-57-0;2-Chloro-2,3-dimethyl butane;Butane, 2-chloro-2,3-dimethyl-;SCHEMBL756149;2-chloro-2,3-dimethyl-butane;2-Chloro-2,3-dimethylbutane #;HEMQRALQJLCVBR-UHFFFAOYSA-;DTXSID40208124;MFCD00061030;AKOS006273262;GS-6129;FT-0691603;H10395;A858072

Chemical Property of 2-Chloro-2,3-dimethylbutane

Chemical Property:

• Vapor Pressure: 26.1mmHg at 25°C
• Melting Point: -10.4°C
• Refractive Index: 1.4175
• Boiling Point: 112°C at 760 mmHg
• Flash Point: 14.9°C
• PSA: 0.00000
• Density: 0.865g/cm³
• LogP: 2.65980
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 120.0705781
• Heavy Atom Count: 7
• Complexity: 55.2

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Chloro-2,3-dimethylbutane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C)(C)Cl

Technology Process of 2-Chloro-2,3-dimethylbutane

There total 38 articles about 2-Chloro-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: 98.0%

2-(1,2,2-trimethyl-propoxysulfonyl)-benzoic acid 2-(2-methoxy-ethoxy)-ethyl ester → 2-chloro-2,3-dimethylbutane (594-57-0)

Guidance literature:

With titanium tetrachloride; In dichloromethane; at -78 ℃;

DOI:10.1021/jo052333q

Reference yield: 86.0%

2,3-Dimethyl-2-butene (563-79-1) + trans, trans-platinum(triethylphosphine)2(chloro)2(bromo)(9-phenanthryl) → 2-chloro-2,3-dimethylbutane (594-57-0) + 3-chloro-2,3-dimethyl-1-butene (37866-05-0) + 2-bromo-3-chloro-2,3-dimethylbutane (22690-18-2) + trans-platinum(triethylphosphine)2(bromo)(9-phenanthryl) (1427001-25-9) + trans-platinum(triethylphosphine)2(chloro)(9-phenanthryl) (1542275-55-7) + 1-chloro-2,3-dimethyl-1-butene + 1-bromo-2,3-dimethyl-2-butene (5072-70-8)

Guidance literature:

In chloroform-d1; Inert atmosphere; Sealed tube; Irradiation;

DOI:10.1021/ic5009413

Reference yield: 72.0%

2,3-Dimethyl-2-butene (563-79-1) + cumenyl chloride (934-53-2) → 2-chloro-2,3-dimethylbutane (594-57-0) + 1,1,2,2,3,3-hexamethylindane (91324-94-6)

Guidance literature:

With titanium tetrachloride; In dichloromethane; at -75 ℃; for 1h;

DOI:10.1021/jo00254a052

upstream raw materials:

tetrachloromethane

2,3-dimethylbutane

di-tert-butyl peroxide

2,3-Dimethyl-2-butene

Downstream raw materials:

2,3-Dimethyl-2-butene

2,3,3-Trimethyl-pentane

2,3-dimethylbutane

2,3-Dimethyl-1-butene

Refernces

• 1、 Baran, Janusz,Mayr, Herbert. "Synthesis of Hexamethylglutaric Acid: An Approach to Compounds with Adjacent Quaternary Carbon Centers". . p. 4626 - 4628. Retrieved 1988.
• 2、 Perera, Tharushi A.,Masjedi, Mehdi,Sharp, Paul R.. "Photoreduction of Pt(IV) chloro complexes: Substrate chlorination by a triplet excited state". . p. 7608 - 7621. Retrieved 2014/08/05.
• 3、 Lepore, Salvatore D.,Bhunia, Anjan K.,Mondal, Deboprosad,Cohn, Pamela C.,Lefkowitz, Craig. "Rapid conversion of hindered arylsulfonates to alkyl chlorides with retention of configuration". . p. 3285 - 3286. Retrieved 2007/10/03.