2-Chloro-2-methylbutane

Base Information

• Chemical Name: 2-Chloro-2-methylbutane
• CAS No.: 594-36-5
• Molecular Formula: C5H11Cl
• Molecular Weight: 106.595
• Hs Code.: 29031980
• European Community (EC) Number: 209-836-2
• NSC Number: 7900
• UNII: QO6BZZ3FGR
• DSSTox Substance ID: DTXSID0060484
• Nikkaji Number: J6.772E
• Wikipedia: Tert-Amyl_chloride
• Wikidata: Q7705229
• Mol file: 594-36-5.mol

Synonyms:2-Chloro-2-methylbutane;594-36-5;tert-Amyl chloride;BUTANE, 2-CHLORO-2-METHYL-;tert-Pentyl chloride;2-Methyl-2-chlorobutane;1,1-Dimethylpropyl chloride;Tertiary pentyl chloride;QO6BZZ3FGR;NSC 7900;NSC-7900;EINECS 209-836-2;MFCD00000818;UNII-QO6BZZ3FGR;Butano, 2-cloro-2-metil-;SCHEMBL331880;DTXSID0060484;2-Chloro-2-methylbutane, 98%;NSC7900;AKOS015915714;2-CHLORO-2-METHYLBUTANE [MI];FT-0611694;D89214;EN300-113428;J-802076;Q7705229

Chemical Property of 2-Chloro-2-methylbutane

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 73.3mmHg at 25°C
• Melting Point: ?73 °C(lit.)
• Refractive Index: n20/D 1.405(lit.)
• Boiling Point: 86.884 °C at 760 mmHg
• Flash Point: 3.367 °C
• PSA: 0.00000
• Density: 0.87 g/cm³
• LogP: 2.41380
• Water Solubility.: Soluble in ethanol, ethyl ether. Insoluble in water.
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 106.0549280
• Heavy Atom Count: 6
• Complexity: 39.2

Purity/Quality:

98% ^*data from raw suppliers

2-Chloro-2-methylbutane >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xi
• Hazard Codes: F,Xi
• Statements: 11-36/37/38
• Safety Statements: 16-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(C)(C)Cl
• Uses: 2-Chloro-2-methylbutane is used as a solvent for the synthesis of other compounds and pentane. It is used in organic synthesis, Catalytic agent, Petrochemical additive.

Technology Process of 2-Chloro-2-methylbutane

There total 68 articles about 2-Chloro-2-methylbutane 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%

tert-Amyl alcohol (75-85-4) → 2-methyl-2-butylchloride (594-36-5)

Guidance literature:

With bismuth(III) chloride; In tetrachloromethane; at 25 ℃; for 0.0833333h;

DOI:10.1080/00397919808007004

Reference yield: 97.0%

2-(2,2-dimethyl-propoxysulfonyl)-benzoic acid 2-(2-methoxy-ethoxy)-ethyl ester → 2-methyl-2-butylchloride (594-36-5)

Guidance literature:

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

DOI:10.1021/jo052333q

Reference yield: 95.0%

2-methyl-but-2-ene (513-35-9) + water (7732-18-5) → 2-methyl-2-butylchloride (594-36-5)

Guidance literature:

In hydrogenchloride;

upstream raw materials:

tert-Amyl alcohol

oxalyl dichloride

2-methyl-but-2-ene

neopentyl iodide

Downstream raw materials:

3,5,5-trimethyl-hept-3-ene

1,3-dimethyl-5-tert-pentyl-benzene

4-(1,1-dimethylpropyl)toluene

3-(1,1-dimethylpropyl)toluene

Refernces

• 1、 Stork et al.. "". . p. 449. Retrieved 1971.
• 2、 -. "Synthesis method of tert-amylbenzene with controllable isomer content". Paragraph 0025-0026. . Retrieved 2020/06/17.
• 3、 Arbuzov,Kudrya,Trenikhin,Drozdov. "In Situ Formation of Al(Fe)/Cl Metal Chloride Complexes and Evaluation of Their Catalytic Properties in the Reaction of Ethylene Oligomerization". . p. 1926 - 1930. Retrieved 2018/04/17.