3-(2-Bromoethyl)coumarin

Base Information

Chemical Name:3-(2-Bromoethyl)coumarin
CAS No.:20972-54-7
Molecular Formula:C₁₁H₉BrO₂
Molecular Weight:253.095
Hs Code.:
European Community (EC) Number:622-382-3
NSC Number:99029
DSSTox Substance ID:DTXSID40943265
Wikidata:Q82920318
Mol file:20972-54-7.mol

Synonyms:3-(2-bromoethyl)coumarin;20972-54-7;3-(2-bromoethyl)chromen-2-one;3-(2-bromoethyl)-2h-chromen-2-one;3-(2-bromoethyl)-2H-1-benzopyran-2-one;NSC99029;SCHEMBL4390620;DTXSID40943265;KWYQUOMBGREDBP-UHFFFAOYSA-N;NSC-99029;AKOS024339990;FT-0613526

Suppliers and Price of 3-(2-Bromoethyl)coumarin

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 7 raw suppliers

Chemical Property of 3-(2-Bromoethyl)coumarin

Chemical Property:

Vapor Pressure:1.3E-05mmHg at 25°C
Boiling Point:368.1°C at 760 mmHg
Flash Point:176.4°C
PSA：30.21000
Density:1.526g/cm³
LogP:2.73040
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:251.97859
Heavy Atom Count:14
Complexity:260

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C=C(C(=O)O2)CCBr

Technology Process of 3-(2-Bromoethyl)coumarin

There total 2 articles about 3-(2-Bromoethyl)coumarin 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: 98.0%

: 20972-50-3
3-(2-hydroxyethyl)-2H-chromen-2-one

: 20972-54-7
3-(2-bromoethyl)-2H-1-benzopyran-2-one

Guidance literature:: With triphenylphosphine dibromide 1:1 addition complex; In acetonitrile; for 3h; Heating;
DOI:10.1021/jo00027a032

Reference yield:

: 90-02-8
salicylaldehyde

: 20972-54-7
3-(2-bromoethyl)-2H-1-benzopyran-2-one

Guidance literature:: Multi-step reaction with 2 steps

1: 1) NaH / 1) THF, oil, r.t., 1 h, 2) THF, oil, reflux, 3 h

2: 98 percent / Ph₃PBr₂ / acetonitrile / 3 h / Heating

With sodium hydride; triphenylphosphine dibromide 1:1 addition complex; In acetonitrile;
DOI:10.1021/jo00027a032