2,5-Dichloro-2,5-dimethylhexane

Base Information

• Chemical Name: 2,5-Dichloro-2,5-dimethylhexane
• CAS No.: 6223-78-5
• Deprecated CAS: 306272-22-0
• Molecular Formula: C8H16Cl2
• Molecular Weight: 183.121
• Hs Code.: 2903199000
• European Community (EC) Number: 228-310-3
• NSC Number: 408418
• DSSTox Substance ID: DTXSID8064145
• Nikkaji Number: J191.517G
• Wikidata: Q72466035
• Mol file: 6223-78-5.mol

Synonyms:2,5-Dichloro-2,5-dimethylhexane;6223-78-5;2,5-dichloro-2,5-dimethyl-hexane;Hexane, 2,5-dichloro-2,5-dimethyl-;Dichlorodimethylhexane;NSC 408418;2,5-Dichloro-2,5-dimethylhexane-13C4;EINECS 228-310-3;MFCD00126854;AI3-23397;2,5-Dimethyl-2,5-dichlorohexane;C8H16Cl2;NSC408418;2,5-dichloro-dimethylhexane;2,5-dichloro-dimethyl hexane;SCHEMBL740669;C8-H16-Cl2;DTXSID8064145;AMY2370;2,5-dichloro-2,5dimethyl hexane;Hexane,5-dichloro-2,5-dimethyl-;C(CC(C)(C)Cl)C(C)(C)Cl;2,5-dichloro-2,5-dimethyl hexane;2,5dichloro-2,5 -dimethyl hexane;CS-B0384;AKOS005166976;NSC-408418;SS-4661;AC-22527;SY017381;FT-0666573;EN300-73794;A833664;J-507309

Chemical Property of 2,5-Dichloro-2,5-dimethylhexane

Chemical Property:

• Vapor Pressure: 0.632mmHg at 25°C
• Melting Point: 63-64 °C
• Refractive Index: 1.444
• Boiling Point: 194 °C at 760 mmHg
• Flash Point: 68.2 °C
• PSA: 0.00000
• Density: 0.998 g/cm³
• LogP: 3.80140
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Chloroform (Sparingly), Dichloromethane, Diethyl Ether; Ethyl Acetate, Methanol
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 182.0629059
• Heavy Atom Count: 10
• Complexity: 91.8

Purity/Quality:

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

2,5-Dichloro-2,5-dimethylhexane ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CCC(C)(C)Cl)Cl
• Uses: 2,5-Dichloro-2,5-dimethylhexane is a useful reagent for the preparation of substituted bis-2-indenyl metallocene compounds as catalysts for olefin polymerization.

Technology Process of 2,5-Dichloro-2,5-dimethylhexane

There total 18 articles about 2,5-Dichloro-2,5-dimethylhexane 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: 100.0%

2,5-dimethyl-2,5-hexanediol (110-03-2) → 2,5-dichloro-2,5-dimethyl hexane (6223-78-5)

Guidance literature:

With hydrogenchloride; In water;

Reference yield: 94.1%

→ octamethyloctahydrodibenzofluorene + 2,5-dichloro-2,5-dimethyl hexane (6223-78-5)

Guidance literature:

Reference yield: 20.0%

2,5-dimethyl-1,5-hexadiene (627-58-7) + Dichlorophenylphosphine (644-97-3) → 2,5-dichloro-2,5-dimethyl hexane (6223-78-5) + 1,3,3-trimethyl-cyclopentylphenylphosphinic chloride (82123-66-8) + 4-chloro-1,1,4-trimethylpentylphenylphosphinic chloride (82123-67-9) + 1,1,4-trimethyl-4-phenylphosphinyl-chloridepentylphenylphosphinic chloride (82123-68-0)

Guidance literature:

aluminium trichloride; In dichloromethane; at 0 ℃; for 2h;

DOI:10.1016/0040-4020(81)85022-3

upstream raw materials:

2,2,5,5-tetramethyltetrahydrofuran

2,5-dimethyl-2,5-hexanediol

2,5-dimethyl-1,5-hexadiene

2,5-Dimethyl-2,4-hexadiene

Downstream raw materials:

4,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-[2]naphthol

6-Ethoxy-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalin

1,1,4,4-Tetramethyl-1,2,3,4-tetrahydro-naphthalene

5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-ol

Refernces

• 1、 Fischer, Reinald,Suxdorf, Regina,Goerls, Helmar,Westerhausen, Matthias. "Synthesis, crystal structures, and solution behavior of organomagnesium derivatives of alkane-1,4-diide as well as -1,5-diide". . p. 7579 - 7585. Retrieved 2012.
• 2、 Moura,Gibbons,Miller,Pastore. "Tailoring 2D and 3D molecular sieves structures for polyolefin composites: Do all roads lead to remarkable performances?". . p. 3128 - 3143. Retrieved 2018.
• 3、 -. "COMPOUNDS AND SYNTHETIC METHODS FOR THE PREPARATION OF RETINOID X RECEPTOR-SPECIFIC RETINOIDS". Paragraph 148; 151. . Retrieved 2019/06/05.
• 4、 Yamada, Shoya,Kawasaki, Mayu,Fujihara, Michiko,Watanabe, Masaki,Takamura, Yuta,Takioku, Maho,Nishioka, Hiromi,Takeuchi, Yasuo,Makishima, Makoto,Motoyama, Tomoharu,Ito, Sohei,Tokiwa, Hiroaki,Nakano, Shogo,Kakuta, Hiroki. "Competitive Binding Assay with an Umbelliferone-Based Fluorescent Rexinoid for Retinoid X Receptor Ligand Screening". . p. 8809 - 8818. Retrieved 2019/10/11.