1,1-Dichloro-3,3-dimethylbutane

Base Information

• Chemical Name: 1,1-Dichloro-3,3-dimethylbutane
• CAS No.: 6130-96-7
• Molecular Formula: C6H12 Cl2
• Molecular Weight: 155.067
• Hs Code.: 2903199000
• European Community (EC) Number: 228-101-7
• NSC Number: 76601
• UNII: W2XE8UK3HF
• DSSTox Substance ID: DTXSID70210210
• Nikkaji Number: J227.311J
• Wikidata: Q83084807
• Mol file: 6130-96-7.mol

Synonyms:1,1-Dichloro-3,3-dimethylbutane;6130-96-7;W2XE8UK3HF;Butane, 1,1-dichloro-3,3-dimethyl-;EINECS 228-101-7;NSC-76601;NSC76601;starbld0032195;UNII-W2XE8UK3HF;SCHEMBL3363269;DTXSID70210210;1,1-dichloro-3,3-dimethyl-butane;NSC 76601;AKOS015913724;1,1-Dichloro-3,3-dimethylbutane, 99%

Chemical Property of 1,1-Dichloro-3,3-dimethylbutane

Chemical Property:

• Vapor Pressure: 6.06mmHg at 25°C
• Melting Point: −56 °C(lit.)
• Refractive Index: n20/D 1.4388(lit.)
• Boiling Point: 146-148 °C(lit.)
• Flash Point: 98 °F
• PSA: 0.00000
• Density: 1.027 g/mL at 25 °C(lit.)
• LogP: 3.22630
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 154.0316058
• Heavy Atom Count: 8
• Complexity: 61.4

Purity/Quality:

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

1,1-Dichloro-3,3-dimethylbutane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)CC(Cl)Cl
• Uses: 1,1-Dichloro-3,3-dimethylbutane can exist in only two spectroscopically distinguishable conformations, one with Cs symmetry and one with C1 symmetry.

Technology Process of 1,1-Dichloro-3,3-dimethylbutane

There total 8 articles about 1,1-Dichloro-3,3-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: 95.0%

tertiary butyl chloride (507-20-0) + chloroethylene (75-01-4,9002-86-2) → 1,1-dichloro-3,3-dimethylbutane (6130-96-7)

Guidance literature:

With aluminium trichloride; In dichloromethane; at -40 - -10 ℃; for 0.5h;

Reference yield:

Isobutane (75-28-5,40921-86-6) + chloroethylene (75-01-4,9002-86-2) → 1,1-dichloro-3,3-dimethylbutane (6130-96-7)

Guidance literature:

With aluminium trichloride; at -10 ℃;

DOI:10.1021/ja01225a006

Reference yield:

1,1-Dichloroethylene (75-35-4,9002-85-1) + tert-butylmercury chloride (38442-51-2) → 1,1-dichloro-3,3-dimethylbutane (6130-96-7)

Guidance literature:

With triethylsilane; sodium thiosulfate; Yield given. Multistep reaction; 1.) DMSO, 12 h, 2.) DMSO;

upstream raw materials:

Isobutane

chloroethylene

tertiary butyl chloride

1,1-Dichloroethylene

Downstream raw materials:

3,3-Dimethylbut-1-yne

3,3-dimethylbutyrylaldehyde

(3,3-dimethylbutyl)benzene

1,1-diphenyl-3,3-dimethylbutane

Refernces

• 1、 Russell, Glen A.,Shi, Bing Zhi,Jiang, Wan,Hu, Shuiesheng,Kim, Byeong H.,Baik, Woonphil. "Reductive alkylation of electronegatively-substituted alkenes by alkylmercury halides". . p. 3952 - 3962. Retrieved 2007/10/02.
• 2、 Milner, David J.. "Formation of Disubstituted Chloro-olefins by Treatment of Substituted 1,2-Dichloroethylenes with Hydrocarbons in the Vapour Phase". . p. 3241 - 3255. Retrieved 2007/10/02.