1,2-Dibromo-3,3-dimethylbutane

Base Information

• Chemical Name: 1,2-Dibromo-3,3-dimethylbutane
• CAS No.: 640-21-1
• Molecular Formula: C6H12 Br2
• Molecular Weight: 243.969
• Hs Code.: 2903399090
• European Community (EC) Number: 613-415-2
• NSC Number: 246202
• DSSTox Substance ID: DTXSID70311892
• Nikkaji Number: J79.775H
• Mol file: 640-21-1.mol

Synonyms:1,2-Dibromo-3,3-dimethylbutane;640-21-1;NSC246202;C(Br)(CBr)C(C)(C)C;SCHEMBL4055377;DTXSID70311892;1,2-dibromo-3,3-dimethyl-butane;AKOS005259149;NSC-246202

Chemical Property of 1,2-Dibromo-3,3-dimethylbutane

Chemical Property:

• Vapor Pressure: 0.128mmHg at 25°C
• Refractive Index: n20/D 1.5053(lit.)
• Boiling Point: 73 °C3 mm Hg(lit.)
• Flash Point: 183 °F
• PSA: 0.00000
• Density: 1.61 g/mL at 25 °C(lit.)
• LogP: 3.19090
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 243.92853
• Heavy Atom Count: 8
• Complexity: 63.4

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(CBr)Br
• Use Description: 1,2-Dibromo-3,3-dimethylbutane, a chemical compound, serves specific roles in various fields. In organic chemistry and chemical research, it is employed as a reagent for introducing bromine atoms into organic molecules, contributing to the synthesis of complex compounds and pharmaceutical intermediates. This compound plays a pivotal role in the development of new chemical reactions and the creation of specialized chemicals for various applications. Additionally, in the field of analytical chemistry, it can be used as a standard or reference compound for the calibration and validation of analytical instruments, ensuring accurate measurements and analyses. Its versatile utility underscores its significance in advancing organic chemistry, materials science, and analytical techniques, where it plays a crucial role in compound synthesis, research, and quality control.

Technology Process of 1,2-Dibromo-3,3-dimethylbutane

There total 10 articles about 1,2-Dibromo-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: 94.0%

tert-butylethylene (558-37-2) → 1,2-dibromo-3,3-dimethylbutane (640-21-1)

Guidance literature:

With bromine; for 0.133333h; Phase-vanishing reaction with phase screen; Neat (no solvent); Darkness;

DOI:10.3762/bjoc.5.75

Reference yield: 4.1%

tert-butylethylene (558-37-2) + N-bromo-1,8-naphthalenedicarboximide (105089-47-2) → 1,2-dibromo-3,3-dimethylbutane (640-21-1) + N-(2-bromo-3,3-dimethylbutyl)-1,8-naphthalenedicarboximide (105089-49-4)

Guidance literature:

In dichloromethane; at 17 ℃; Irradiation;

DOI:10.1021/jo00375a038

Reference yield:

tert-butylethylene (558-37-2) → 1,4-dibromo-2,3-bis-bromomethyl-but-2-ene (30432-16-7) + 3,3-dimethylbutyl bromide (1647-23-0) + 1,2-dibromo-3,3-dimethylbutane (640-21-1)

Guidance literature:

With bromine;

DOI:10.1021/jo00947a027

upstream raw materials:

methanol

tert-butylethylene

N-Bromosuccinimide

3,3-Dimethylbut-1-yne

Downstream raw materials:

3,3-Dimethylbut-1-yne

2-Bromo-3,3-dimethyl-1-butene

1-bromo-3,3-dimethylbut-1-ene

Refernces

• 1、 Pels, Kevin,Dragojlovic, Veljko. "Solvent-free phase-vanishing reactions with PTFE (Teflon) as a phase screen". scheme or table. . Retrieved 2010/04/22.
• 2、 Hazra, Braja G.,Chordia, Mahendra D.,Bahule, Bharat B.,Pore, Vandana S.,Basu, Sourav. "Manganese-medium Novel Debromination of Olefins with Tetradecyltrimethylammonium Permanganate and Trimethylbromosilane". . p. 1667 - 1670. Retrieved 2007/10/02.