2,5-Dibromohexane-3,4-dione

Base Information

• Chemical Name: 2,5-Dibromohexane-3,4-dione
• CAS No.: 39081-91-9
• Molecular Formula: C6H8Br2O2
• Molecular Weight: 271.936
• Hs Code.: 2914700090
• European Community (EC) Number: 254-275-9
• DSSTox Substance ID: DTXSID70865941
• Nikkaji Number: J26.205F
• Mol file: 39081-91-9.mol

Synonyms:2,5-Dibromohexane-3,4-dione;39081-91-9;2,5-Dibromo-3,4-hexanedione;3,4-Hexandione, 2,5-dibromo-;3,4-Hexanedione, 2,5-dibromo-;EINECS 254-275-9;2,5-DIBROMO-3,4-HEXANEDIONE, 95;2,5-dibromo-hexane-3,4-dione;2,5-dibromo-3,4-hexadione;SCHEMBL11161122;DTXSID70865941

Chemical Property of 2,5-Dibromohexane-3,4-dione

Chemical Property:

• Vapor Pressure: 0.0747mmHg at 25°C
• Refractive Index: n20/D 1.512(lit.)
• Boiling Point: 101-103 °C/10 mmHg(lit.)
• Flash Point: 113 °C
• PSA: 34.14000
• Density: 1.766 g/mL at 25 °C(lit.)
• LogP: 1.69140
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 271.88706
• Heavy Atom Count: 10
• Complexity: 138

Purity/Quality:

98%Min ^*data from raw suppliers

2,5-DIBROMO-3,4-HEXANEDIONE 95.00% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)C(=O)C(C)Br)Br

Technology Process of 2,5-Dibromohexane-3,4-dione

There total 5 articles about 2,5-Dibromohexane-3,4-dione 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: 93.0%

3,4-hexanedione (4437-51-8) → 2,5-dibromo-3,4-hexanedione (39081-91-9)

Guidance literature:

With sodium bromate; hydrogen bromide; In chloroform; at 25 - 40 ℃; for 15h; Time; Solvent; Reagent/catalyst; Temperature;

Reference yield:

3,4-bis-trimethylsilanyloxy-hex-3-ene (6838-59-1) → 2,5-dibromo-3,4-hexanedione (39081-91-9)

Guidance literature:

With bromine; In chloroform;

Reference yield:

propioin (4984-85-4) → 2,5-dibromo-3,4-hexanedione (39081-91-9)

Guidance literature:

Multi-step reaction with 2 steps

1: water+ ether; FeCl₃

2: chloroform; bromine / unter Belichtung

With chloroform; water; bromine; iron(III) chloride;

DOI:10.1002/hlca.19460290116

upstream raw materials:

3,4-hexanedione

3,4-bis-trimethylsilanyloxy-hex-3-ene

chloroform

bromine

Downstream raw materials:

2,2'-bis-(N',N'-diphenyl-hydrazino)-5,5'-dimethyl-[4,4']bithiazolyl

4-hydroxy-2,5-dimethyl-2,3-dihydrothiophen-3-one

C₂₄H₂₄N₂O₄S₂

C₂₄H₂₆O₄S₂

Refernces

• 1、 Chamack, M.,Hosseinian, A.,Khazaee, Z.. "SYNTHESIS, CRYSTAL STRUCTURE, AND DFT INSIGHT OF A NEW TRIGONAL BIPYRAMIDAL ZINC(II) COMPLEX". . p. 1043 - 1055. Retrieved 2021/08/17.
• 2、 Fan, Changjiang,Wang, Dong-An. "Potential use of alginate beads as a chondrocyte delivery vehicle and stepwise dissolving porogen in a hydrogel scaffold for cartilage tissue engineering". . p. 80688 - 80697. Retrieved 2015/10/05.