2,6-Dibromotoluene

Base Information

• Chemical Name: 2,6-Dibromotoluene
• CAS No.: 69321-60-4
• Molecular Formula: C7H6 Br2
• Molecular Weight: 249.933
• Hs Code.: 29039990
• European Community (EC) Number: 680-918-1
• DSSTox Substance ID: DTXSID50219382
• Nikkaji Number: J308.938J
• Wikidata: Q72465162
• Mol file: 69321-60-4.mol

Synonyms:2,6-Dibromotoluene;69321-60-4;1,3-Dibromo-2-methylbenzene;Benzene, 1,3-dibromo-2-methyl-;MFCD00013524;1,3-DIBROMO-2-METHYL-BENZENE;SCHEMBL108973;1,3-Dibromo-2-methylbenzene #;DTXSID50219382;CL8815;AKOS005259714;CS-W008100;GS-4492;AC-25930;SY017640;AM20061043;FT-0610563;EN300-96884;A19661

Chemical Property of 2,6-Dibromotoluene

Chemical Property:

• Vapor Pressure: 0.0436mmHg at 25°C
• Melting Point: 2-6°C
• Refractive Index: 1.6060
• Boiling Point: 112-113°C 7mm
• Flash Point: 112-113°C/7mm
• PSA: 0.00000
• Density: 1,812 g/cm3
• LogP: 3.52000
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 249.88158
• Heavy Atom Count: 9
• Complexity: 82.9

Purity/Quality:

98% HPLC ^*data from raw suppliers

1,3-Dibromo-2-methylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/38:Irritating to eyes and skin.
• Hazard Codes: R36/38:Irritating to eyes and skin.
• Statements: 36/37/38-36/38
• Safety Statements: 26-36/37/39-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC=C1Br)Br

Technology Process of 2,6-Dibromotoluene

There total 16 articles about 2,6-Dibromotoluene 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: 87.0%

C12H8Br2N2O4S2 + tetramethylstannane (594-27-4) → 2,6-dibromotoluene (69321-60-4)

Guidance literature:

palladium diacetate; In tetrahydrofuran; at 40 ℃; for 0.333333h;

DOI:10.1055/s-2008-1032027

Reference yield: 83.0%

1,3-dibromo-5-tert-butyl-2-methylbenzene (108545-81-9) → 2,6-dibromotoluene (69321-60-4)

Guidance literature:

aluminium trichloride; In benzene; for 6h; Ambient temperature;

Reference yield: 82.0%

3,5-dibromo-4-methylaniline (13194-73-5) → 2,6-dibromotoluene (69321-60-4)

Guidance literature:

3,5-dibromo-4-methylaniline; With sulfuric acid; In water; at 80 ℃; for 1h;

With sodium nitrite; In water; at 20 ℃; for 3h;

With hypophosphorous acid; In water; at 20 ℃; for 12h;

DOI:10.1021/ol047768z

upstream raw materials:

3-bromo-2-methylaniline

3,5-dibromo-4-methylaniline

2,4-dibromo-3-methylaniline

1,3-dibromo-5-tert-butyl-2-methylbenzene

Downstream raw materials:

2-(2-(hydroxymethyl)-3-(1-methyl-5-(5-methyl-1H-pyrazol-3-ylamino)-6-oxo-1,6-dihydropyridin-3-yl)phenyl)-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1(2H)-one

C₃₀H₃₂N₆O₄

acetic acid 2-{1-methyl-5-[5-(4-methyl-piperazin-1-yl)pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridin-3-yl}-6-(1-oxo-3,4,6,7,8,9-hexahydro-1H-pyrazino[1,2-a]indol-2-yl)benzyl ester

2-(2-(hydroxymethyl)-3-(1-methyl-5-(5-(4-methylpiperazin-1-yl)pyridine-2-ylamino)-6-oxo-1,6-dihydropyridin-3-yl)phenyl)-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1(2H)-one

Refernces

• 1、 -. "Dual Pharmacophores - PDE4-Muscarinic Antagonistics". Page/Page column 49. . Retrieved 2009/08/18.
• 2、 -. "DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS". . . Retrieved 2009/10/09.