1-Bromo-2-ethylbenzene

Base Information

• Chemical Name: 1-Bromo-2-ethylbenzene
• CAS No.: 1973-22-4
• Molecular Formula: C8H9Br
• Molecular Weight: 185.063
• Hs Code.: 29036990
• European Community (EC) Number: 217-823-8
• DSSTox Substance ID: DTXSID20173402
• Nikkaji Number: J99.474J
• Wikidata: Q72455386
• Mol file: 1973-22-4.mol

Synonyms:1-BROMO-2-ETHYLBENZENE;1973-22-4;o-Bromoethylbenzene;Benzene, 1-bromo-2-ethyl-;2-Ethylbromobenzene;EINECS 217-823-8;1-Bromo-2-EthYl-Benzene;1-Ethyl-2-bromobenzene;2-Bromo-1-ethylbenzene;2-bromophenyl ethane;MFCD00000077;Bromo-2-ethylbenzene;1-Bromo-2-ethyl benzene;benzene, 1-bromo-2-ethyl;SCHEMBL155397;1-Bromo-2-ethylbenzene, 99%;DTXSID20173402;BR1253;AKOS005206892;CS-W016966;GS-3482;AC-11613;AM20050262;B1428;FT-0607456;1-Bromo-2-ethylbenzene, 92%, technical grade;EN300-106064;A813904;1-Bromo-2-ethylbenzene, puriss., >=98.5% (GC);W-107682;Z1255457372

Chemical Property of 1-Bromo-2-ethylbenzene

Chemical Property:

• Appearance/Colour: Clear colourless to light yellow liquid
• Vapor Pressure: 0.471mmHg at 25°C
• Melting Point: -56 °C
• Refractive Index: n20/D 1.549(lit.)
• Boiling Point: 199.9 °C at 760 mmHg
• Flash Point: 66.4 °C
• PSA: 0.00000
• Density: 1.336 g/cm³
• LogP: 3.01150
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 183.98876
• Heavy Atom Count: 9
• Complexity: 80.6

Purity/Quality:

99% ^*data from raw suppliers

1-Bromo-2-ethylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, N, O
• Hazard Codes: Xi,N,O
• Statements: 36/37/38-51/53
• Safety Statements: 26-61-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Monoaromatics
• Canonical SMILES: CCC1=CC=CC=C1Br
• Uses: 1-Bromo-2-ethylbenzene may be used in the synthesis of:1-(2′-ethylphenyl)ethanolN-benzyl-P-(2-ethylphenyl)-P-phenylphosphinic amide4-(isopropyldimethylsilyl)-2-(2-ethylphenyl)pyridine5-amino-2′-ethyl -biphenyl-2-ol, used for modification of carbon paste electrode

Technology Process of 1-Bromo-2-ethylbenzene

There total 20 articles about 1-Bromo-2-ethylbenzene 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: 99.0%

2-bromostyrene (2039-88-5) → 1-bromo-2-ethylbenzene (1973-22-4)

Guidance literature:

With methanol; palladium diacetate; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; In dichloromethane; at 25 ℃; for 12h; Schlenk technique; Inert atmosphere;

Reference yield: 83.0%

ethylbenzene (100-41-4,27536-89-6) → 1-bromo-4-ethylbenzene (1585-07-5) + 1-bromo-2-ethylbenzene (1973-22-4)

Guidance literature:

With oxygen; sodium bromide; In dibutyl ether; at 45 ℃; for 5h; under 760.051 Torr; Schlenk technique;

DOI:10.1002/cssc.201300289

Reference yield:

2-(2'bromophenyl)-1-iodoethane (113163-19-2) → 1-bromo-2-(2-bromoethyl)benzene (1074-15-3) + ethylbenzene (100-41-4,27536-89-6) + 1-bromo-2-ethylbenzene (1973-22-4) + 2-phenethyl iodide (17376-04-4) + 2-bromostyrene (2039-88-5) + 1-phenyl-2-bromoethane (103-63-9)

Guidance literature:

With methanol; tert.-butyl lithium; In tetrahydrofuran; at -98 ℃; Product distribution; Mechanism;

DOI:10.1021/ja00160a053

upstream raw materials:

ethyl bromide

bromobenzene

ortho-ethylaniline

ethylbenzene

Downstream raw materials:

2-ethylbenzoic acid

2,2,2-Trichloro-1-(2-ethyl-phenyl)-ethanol

2-Ethyl-1-(2-ethyl-phenyl)-cyclohexan-1-ol

2-Isopropyl-1-(2-ethyl-phenyl)-cyclohexan-1-ol

Refernces

• 1、 -. "Hydrogenation reaction method". Paragraph 0034; 0153-0156. . Retrieved 2020/05/14.
• 2、 Pongrácz, Péter,Kollár, László. "Enantioselective hydroformylation of 2- and 4-substituted styrenes with PtCl2[(R)-BINAP] + SnCl2‘in situ’ catalyst". . p. 118 - 123. Retrieved 2016/10/25.