(2-Bromoethoxy)benzene

Base Information

• Chemical Name: (2-Bromoethoxy)benzene
• CAS No.: 589-10-6
• Molecular Formula: C8H9 Br O
• Molecular Weight: 201.063
• Hs Code.: 29093038
• European Community (EC) Number: 209-634-4
• NSC Number: 8055
• DSSTox Substance ID: DTXSID9049322
• Nikkaji Number: J94.983C
• Wikidata: Q63409064
• ChEMBL ID: CHEMBL3188706
• Mol file: 589-10-6.mol

Synonyms:(2-Bromoethoxy)benzene;589-10-6;2-Bromoethyl phenyl ether;1-Bromo-2-phenoxyethane;beta-Bromophenetole;2-Phenoxyethylbromide;2-bromoethoxybenzene;2-Phenoxyethyl bromide;Benzene, (2-bromoethoxy)-;beta-Phenoxyethyl bromide;2-bromoethylphenylether;3-BROMOETHOXYBENZENE;(2-bromo-ethoxy)-benzene;Phenetole, .beta.-bromo-;.beta.-Bromophenetole;NSC 8055;MFCD00000234;.beta.-Phenoxyethyl bromide;DTXSID9049322;EINECS 209-634-4;AI3-09175;1-(2-bromoethoxy)benzene;B-BROMOPHENETOLE;2-(bromoethoxy)benzene;ss -Bromophenetole;o-bromoethoxybenzene;phenoxyethyl bromide;phenoxy-ethyl bromide;2-bromoethoxy benzene;2-bromoethoxyl benzene;2-phenoxy-ethylbromide;Phenetole, beta-bromo-;2-bromoethylphenyl ether;(2-bromo-ethoxy)benzene;beta-Bromophenetole, 98%;(2-bromoethyl)phenyl ether;1-(2-bromoethoxyl)benzene;SCHEMBL91274;1-(2-bromo-ethoxy)-benzene;CHEMBL3188706;DTXCID4029278;NSC8055;BCP22264;NSC-8055;Tox21_202849;STL194026;AKOS000121017;AC-1946;AM61603;CS-W015572;NCGC00260395-01;CAS-589-10-6;A8309;B0931;BB 0217776;EN300-17541;Q-200705;Q63409064;Z56950513;F3308-2964

Chemical Property of (2-Bromoethoxy)benzene

Chemical Property:

• Appearance/Colour: Colorless clear liquid
• Vapor Pressure: 0.17mmHg at 25°C
• Melting Point: 31-34 ºC
• Refractive Index: 1.555-1.557
• Boiling Point: 144 ºC (40 mmHg)
• Flash Point: 65 ºC
• PSA: 9.23000
• Density: 1.45
• LogP: 2.46030
• Storage Temp.: Store below +30°C.
• Solubility.: Solubility in methanol is almost transparent. Soluble in chloroform and ethyl acetate.
• Water Solubility.: Insoluble in water. Solubility in methanol is almost transparent. Soluble in chloroform and ethyl acetate.
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 199.98368
• Heavy Atom Count: 10
• Complexity: 79.3

Purity/Quality:

99% ^*data from raw suppliers

2-Phenoxyethylbromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 23-24/25-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Ethers
• Canonical SMILES: C1=CC=C(C=C1)OCCBr
• Uses: 2-Phenoxyethyl bromide is used in the synthesis and antihypertensive activity of 4'-substituted spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-ones.

Technology Process of (2-Bromoethoxy)benzene

There total 12 articles about (2-Bromoethoxy)benzene 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%

1-methanesulfonyloxy-2-(phenoxy)ethane (141482-06-6) → phenoxyethyl bromide (589-10-6)

Guidance literature:

With 1-n-butyl-3-methylimidazolim bromide; at 50 ℃; for 3h; Inert atmosphere; Green chemistry;

DOI:10.1055/s-0032-1317473 DOI:10.1055/s-0032-1317473

Reference yield: 95.0%

2-Phenoxyethanol (122-99-6,56257-90-0,9004-78-8) → phenoxyethyl bromide (589-10-6)

Guidance literature:

With silica bromide; In dichloromethane; at 20 ℃; for 0.166667h;

DOI:10.2174/157017812802850285

Reference yield: 94.0%

C14H14O4S (124004-35-9) → phenoxyethyl bromide (589-10-6)

Guidance literature:

With lithium bromide; In tetrahydrofuran; Inert atmosphere; Reflux;

DOI:10.1002/adsc.201100736

upstream raw materials:

sodium phenoxide

ethylene dibromide

tetrachloromethane

ethanol

Downstream raw materials:

1-(2-phenoxyethyl)pyrrolidine

1-(2-phenoxy-ethyl)-pyridinium; bromide

4-methoxymethyl-2-oxo-3-(2-phenoxy-ethyl)-piperidine-3-carboxylic acid

2-phenoxyethanamine

Refernces

• 1、 Singh, Ved Prakash,Dowarah, Jayanta,Tewari, Ashish Kumar,Geiger, David K.. "Structural chemistry and anti-inflammatory activity of flexible/restricted phenyl dimers". . p. 1289 - 1303. Retrieved 2020/01/22.
• 2、 Yu, Bin,Liu, Haoyue,Kong, Xiaoyan,Chen, Xinli,Wu, Chunli. "Synthesis of new chalcone-based homoserine lactones and their antiproliferative activity evaluation". . p. 500 - 511. Retrieved 2019/01/03.