2-Bromo-1,3-diethyl-5-methylbenzene

Base Information

• Chemical Name: 2-Bromo-1,3-diethyl-5-methylbenzene
• CAS No.: 314084-61-2
• Molecular Formula: C11H15Br
• Molecular Weight: 227.144
• Hs Code.: 2903999090
• European Community (EC) Number: 608-620-9
• UNII: 699EQJ37G1
• DSSTox Substance ID: DTXSID60468889
• Wikidata: Q27264333
• Mol file: 314084-61-2.mol

Synonyms:2-Bromo-1,3-diethyl-5-methylbenzene;314084-61-2;2,6-DIETHYL-4-METHYLBROMOBENZENE;1-Bromo-2,6-diethyl-4-methylbenzene;Benzene, 2-bromo-1,3-diethyl-5-methyl-;2,6-Diethyl-4-methylphenyl bromide;699EQJ37G1;MFCD16036168;UNII-699EQJ37G1;2,6-diethyl pound-4-methyl-bromobenzene;4-Bromo-3,5-diethyltoluene;SCHEMBL469841;DTXSID60468889;QWIITRRSNVBPDK-UHFFFAOYSA-N;2,6-diethyl-4-methylb-romobenzene;AMY18296;2,6-Diethyl-4-methyl-1-bromobenzene;AKOS015995459;CS-W005228;DS-3986;SY108429;EN300-303389;A875911;Q27264333;Z1269219611

Chemical Property of 2-Bromo-1,3-diethyl-5-methylbenzene

Chemical Property:

• Vapor Pressure: 0.021mmHg at 25°C
• Boiling Point: 258.981oC at 760 mmHg
• Flash Point: 108.658oC
• PSA: 0.00000
• Density: 1.211g/cm3
• LogP: 3.88230
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform, Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 226.03571
• Heavy Atom Count: 12
• Complexity: 119

Purity/Quality:

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

2-Bromo-1,3-diethyl-5-methylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=CC(=C1Br)CC)C

Technology Process of 2-Bromo-1,3-diethyl-5-methylbenzene

There total 2 articles about 2-Bromo-1,3-diethyl-5-methylbenzene 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%

2,6-diethyl-4-methylaniline (24544-08-9) → 1-bromo-2,6-diethyl-4-methylbenzene (314084-61-2)

Guidance literature:

2,6-diethyl-4-methylaniline; With hydrogen bromide; at 10 ℃; for 0.5h;

With sodium nitrite; at -5 - 0 ℃; for 2.5h;

With ferrous(II) sulfate heptahydrate; hydrogen bromide; sodium bromide; In water; at 65 - 75 ℃; for 0.5h; Reagent/catalyst;

Reference yield:

2,6-diethyl-4-methylaniline (24544-08-9) → 2,6-diethyl-4-methylphenol (35050-88-5) + 1-bromo-2,6-diethyl-4-methylbenzene (314084-61-2)

Guidance literature:

2,6-diethyl-4-methylaniline; With hydrogen bromide; In 1,2-dichloro-benzene;

With tribromoacetic acid; sulfuric acid; sodium nitrite; In 1,2-dichloro-benzene; at 80 - 100 ℃; Temperature;

Reference yield: 99.1%

malononitrile (109-77-3) + 1-bromo-2,6-diethyl-4-methylbenzene (314084-61-2) → 2-(2,6-diethyl-4-methylbenzene)malononitrile (314020-53-6)

Guidance literature:

With (R)-1-[(S_p)-2-(diphenylphosphanyl)ferrocenyl]ethyldi(3,5-xylyl)phosphane; palladium diacetate; sodium t-butanolate; In tetrahydrofuran; 5,5-dimethyl-1,3-cyclohexadiene; at 102 - 130 ℃; for 2h; Reagent/catalyst; Solvent; Temperature; Inert atmosphere; Green chemistry;

upstream raw materials:

2,6-diethyl-4-methylaniline

Downstream raw materials:

2-(2,6-diethyl-4-methylbenzene)malononitrile

2,6-diethyl-4-methylphenyl boronic acid

C₁₇H₂₆O₂

(E)-1-(2,6-diethyl-4-methylphenyl)oct-1-en-3-one

Refernces

• 1、 -. "Synthesis method of pinoxaden intermediate (2, 6-diethyl-4-methyl)phenylacetic acid". Paragraph 0023; 0038; 0039; 0044; 0045. . Retrieved 2019/05/08.
• 2、 -. "Phenyl pyrazoline compound with bioactivity and preparation method and application thereof". Paragraph 0060; 0061. . Retrieved 2019/08/26.