2-Chloro-2-methylpropane

Base Information

• Chemical Name: 2-Chloro-2-methylpropane
• CAS No.: 507-20-0
• Molecular Formula: C4H9Cl
• Molecular Weight: 92.5685
• Hs Code.: 29031980
• European Community (EC) Number: 208-066-4
• NSC Number: 6527
• UN Number: 1127
• UNII: JN2YO95TZ0
• DSSTox Substance ID: DTXSID2023937
• Nikkaji Number: J2.614J
• Wikipedia: Tert-Butyl_chloride,t-butyl chloride
• Wikidata: Q209343
• ChEMBL ID: CHEMBL346997
• Mol file: 507-20-0.mol

Synonyms:2-Chloro-2-methylpropane;507-20-0;tert-Butyl chloride;Propane, 2-chloro-2-methyl-;T-BUTYL CHLORIDE;tert-Butylchloride;Trimethylchloromethane;Chlorotrimethylmethane;2-Chloroisobutane;t-Butylchloride;2-Methyl-2-chloropropane;2-Methyl-2-propyl chloride;Tertiary-butyl chloride;2-Chloro-2-methyl-propane;NSC 6527;EINECS 208-066-4;UNII-JN2YO95TZ0;BRN 1730872;JN2YO95TZ0;AI3-30754;CCRIS 9388;DTXSID2023937;NSC-6527;EC 208-066-4;4-01-00-00288 (Beilstein Handbook Reference);2-Chloro-2-methyl propane;tertbutyl chloride;t-BuCl;tert butyl chloride;tert.butyl chloride;tert-C4H9Cl;tert.-butyl chloride;Propane, 2-chloro-2-methyl;2-chloranyl-2-methyl-propane;BUTYL CHLORIDE, TERT-;CHEMBL346997;DTXCID803937;NSC6527;TERT-BUTYL CHLORIDE [MI];2-Chloro-2-methylpropane, 99%;WLN: GX1&1&1;STR03102;Tox21_200192;MFCD00000816;AKOS000121885;NCGC00248555-01;NCGC00257746-01;CAS-507-20-0;LS-119672;tert-Butylchloride 2-Chloro-2-methylpropane;FT-0611695;EN300-29211;A828266;Q209343;Chloro-2-methylpropane, 2-;(Tert-butyl chloride);F0001-1327;PROPANE,2-CHLORO,2-METHYL TERT.BUTYL,CHLORIDE;Z281778956;2-Chloro-2-methylpropane, puriss. p.a., >=99.0% (GC)

Chemical Property of 2-Chloro-2-methylpropane

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 4.82 psi ( 20 °C)
• Melting Point: -25 °C
• Refractive Index: n20/D 1.385(lit.)
• Boiling Point: 50.6 °C at 760 mmHg
• Flash Point: 18.3 °C
• PSA: 0.00000
• Density: 0.873 g/cm³
• LogP: 2.02370
• Storage Temp.: Flammables area
• Water Solubility.: SLIGHTLY SOLUBLE
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 92.0392780
• Heavy Atom Count: 5
• Complexity: 25.1

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-2-methylpropane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 11
• Safety Statements: 16-29-33-7/9-9

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Chlorinated Aliphatics
• Canonical SMILES: CC(C)(C)Cl
• Uses: 2-Chloro-2-methylpropane is an alkylating agent that is used to functionalize molecules with tert-butyl group.It serves as an effective chlorinating agent, in combination with the ionic liquid, 1-butyl-3-methylimidazolium bromide for converting alcohols into chlorides.It can also be used to prepare tert-butyl ethers by treating with corresponding alcohols.

Technology Process of 2-Chloro-2-methylpropane

There total 181 articles about 2-Chloro-2-methylpropane 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%

PdCl{P(2-SC6H4)(2-t-BuSC6H4)2} → tertiary butyl chloride (507-20-0) + [Pd{P(2-SC6H4)2-(2-t-BuSC6H4)}]2

Guidance literature:

In chloroform-d1; at 100 ℃; for 4h; Sealed tube; Inert atmosphere;

DOI:10.1246/bcsj.20160089

Reference yield: 100.0%

tert-butyl alcohol (75-65-0) → tertiary butyl chloride (507-20-0)

Guidance literature:

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

DOI:10.1080/00397919808007004

Reference yield: 92.0%

t-butyl o-(N-methylcarbamoyl)phenyl sulphoxide → 2-methyl-1,2-benzisothiazole-3(2H)-one (2527-66-4) + tertiary butyl chloride (507-20-0)

Guidance literature:

With thionyl chloride; In dichloromethane; for 1h; Heating;

upstream raw materials:

tetrachloromethane

Isobutane

di-tert-butyl peroxide

hexachloroethane

Downstream raw materials:

3-tert-butylthiophene

2-tert-butylthiophene

2,5-di-tert-butylthiophene

5,5'-di-tert-butyl-2,2'-bithiophene

Refernces

• 1、 Schmerling. "-". . p. 1423. Retrieved 1944.
• 2、 Bai, Hebi,Ault, Bruce S.. "Matrix Isolation Study of Complexation and Exchange Reactions of Molecular Halogens with tert-Butyl Halides". . p. 3080 - 3084. Retrieved 1991.
• 3、 Bartlett,Condon bei Schmerling. "-". . p. 1152. Retrieved 1945.
• 4、 Fischer,Laroff. "". . p. 217,221, 223, 224. Retrieved 1974.
• 5、 Timonen, Raimo S.,Gutman, David. "Kinetics of the Reactions of Methyl, Ethyl, Isopropyl, and tert-Butyl Radicals with Molecular Chlorine". . p. 2987 - 2991. Retrieved 1986.
• 6、 Andrianov,Ktoyan. "". . . Retrieved 1975.
• 7、 Costello, Francis,Dalton, David R.,Poole, John A.. "Hydrochlorination of Alkenes. 2. Reaction of Gases Hydrogen Chloride and 2-Methylpropene". . p. 5352 - 5357. Retrieved 1986.
• 8、 Dhiani, Binar A.,James, Edward,Kadri, Hachemi,Lambourne, Olivia A.,Mehellou, Youcef,Miccoli, Ageo,Thornton, Peter J.. "Aryloxy Triester Phosphoramidates as Phosphoserine Prodrugs: A Proof of Concept Study". supporting information. . Retrieved 2020/03/30.
• 9、 -. "Method for co-producing methyl chloropropene and 2-chloro-2-methylpropane by chlorination of isobutene". Paragraph 0022; 0026. . Retrieved 2020/01/12.