1,3-Dibromobutane

Base Information

• Chemical Name: 1,3-Dibromobutane
• CAS No.: 107-80-2
• Deprecated CAS: 79390-67-3
• Molecular Formula: C4H8Br2
• Molecular Weight: 215.916
• Hs Code.: 29033036
• European Community (EC) Number: 203-520-8
• DSSTox Substance ID: DTXSID30870455
• Nikkaji Number: J4.065G
• Mol file: 107-80-2.mol

Synonyms:1,3-DIBROMOBUTANE;107-80-2;Butane, 1,3-dibromo-;1,3 dibromobutane;1,3-dibromo-butane;C4H8Br2;EINECS 203-520-8;1,3-Butylene Bromide;1,3-dibrombutan;1,3-Butylenebromide;1,3-dibromo butane;1,3-Dibromobutane, 97%;SCHEMBL1137164;DTXSID30870455;BR1240;MFCD00000152;AKOS015915033;AS-56895;CS-0186296;D0175;FT-0606629;EN300-96351;E76659;A801757;J-503886;J-802012

Chemical Property of 1,3-Dibromobutane

Chemical Property:

• Appearance/Colour: Clear colourless liquid
• Vapor Pressure: 1.65mmHg at 25°C
• Melting Point: -25.98°C (estimate)
• Refractive Index: n20/D 1.5080(lit.)
• Boiling Point: 174 °C at 760 mmHg
• Flash Point: 48.8 °C
• PSA: 0.00000
• Density: 1.779 g/cm³
• LogP: 2.55480
• Water Solubility.: INSOLUBLE
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 215.89723
• Heavy Atom Count: 6
• Complexity: 28.7

Purity/Quality:

99% ^*data from raw suppliers

1,3-Dibromobutane ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Halogenated Aliphatics, Saturated
• Canonical SMILES: CC(CCBr)Br
• Uses: 1,3-Dibromobutane is a useful reagent in organic synthesis.

Technology Process of 1,3-Dibromobutane

There total 43 articles about 1,3-Dibromobutane 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: 41.0%

2-Isobutoxy-4-methyl-[1,3,2]dioxaborinane (161616-29-1) → Isobutyl bromide (78-77-3) + 1,3-dibromobutane (107-80-2,79390-67-3)

Guidance literature:

With aluminum tri-bromide; In diethyl ether;

Reference yield: 24.0%

s-butyl bromide (78-76-2,5787-31-5) → 2,3-dibromobutane (5408-86-6) + meso-2,3-dibromo-butane (5780-13-2) + 2,2-dibromobutane (50341-35-0) + 1,3-dibromobutane (107-80-2,79390-67-3) + 1,2-dibromobutane (533-98-2,130232-89-2,130232-90-5) + 1,2,2-tribromo-1-methylpropane (62127-47-3)

Guidance literature:

With bromine; at 0 ℃; Product distribution; other temperatures, liquid phase;

Reference yield: 21.6%

s-butyl bromide (78-76-2,5787-31-5) → (E/Z)-crotyl bromide (4784-77-4,29576-14-5,39616-19-8) + (E)-1,4-dibromobutene (821-06-7) + 2,2-dibromobutane (50341-35-0) + 1,3-dibromobutane (107-80-2,79390-67-3)

Guidance literature:

With hydrogen bromide; bromine; at 100 ℃; for 0.25h; under 80 Torr; Further byproducts given; Heating; Irradiation;

upstream raw materials:

1-bromo-4-butene

(E/Z)-crotyl bromide

homoalylic alcohol

3-bromo-1-butene

Downstream raw materials:

2-methylglutaronitrile

methylcyclopropane

2-methylcyclobutane-1-carboxylic acid

2-(3-bromo-1-methyl-propyl)-1,4-dimethyl-benzene

Refernces

• 1、 Hargis. "-". . p. 346,347. Retrieved 1973.
• 2、 Day et al.. "-". . p. 5616. Retrieved 1974.
• 3、 Kuznetsov, V. V.. "REACTION OF SUBSTITUTED 1,3,2-DIOXABORINANES WITH ANHYDROUS ALUMINUM BROMIDE". . p. 837 - 838. Retrieved 2007/10/03.
• 4、 Tanko, James M.,Skell, Philip S.,Seshadri, Sri. "Absolute Rate Constants for Bromine Abstraction from N-Bromoimides and Br2 by Alkyl Radicals". . p. 3221 - 3225. Retrieved 2007/10/02.