3-Butyn-2-one, 4-(4-bromophenyl)-

Base Information

Chemical Name:3-Butyn-2-one, 4-(4-bromophenyl)-
CAS No.:81532-79-8
Molecular Formula:C10H7BrO
Molecular Weight:223.069
Hs Code.:
DSSTox Substance ID:DTXSID10464750
Nikkaji Number:J1.655.955E
Wikidata:Q82290214

Synonyms:4-(4-bromophenyl)but-3-yn-2-one;81532-79-8;3-Butyn-2-one, 4-(4-bromophenyl)-;DTXSID10464750;CS-0530314

Suppliers and Price of 3-Butyn-2-one, 4-(4-bromophenyl)-

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 1 raw suppliers

Chemical Property of 3-Butyn-2-one, 4-(4-bromophenyl)-

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:221.96803
Heavy Atom Count:12
Complexity:225

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)C#CC1=CC=C(C=C1)Br

Technology Process of 3-Butyn-2-one, 4-(4-bromophenyl)-

There total 5 articles about 3-Butyn-2-one, 4-(4-bromophenyl)- 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: 93.0%

: 129725-59-3
4-(4-bromophenyl)-3-butyn-2-ol

: 81532-79-8
4-(4-bromophenyl)-3-butyn-2-one

Guidance literature:: With Iron(III) nitrate nonahydrate; 2,2,6,6-tetramethyl-piperidine-N-oxyl; oxygen; sodium chloride; In toluene; at 20 ℃; for 3.3h;
DOI:10.1055/s-0031-1290811

Reference yield: 86.0%

: 16116-78-2
(4-bromophenyl)(trimethylsilyl)acetylene

: 75-36-5
acetyl chloride

: 81532-79-8
4-(4-bromophenyl)-3-butyn-2-one

Guidance literature:: With aluminium trichloride; In dichloromethane; at 0 - 20 ℃; for 1h;
DOI:10.1002/1099-0690(200111)2001:22<4181::AID-EJOC4181>3.0.CO;2-T

Reference yield: 60.0%

: 766-96-1
4-bromo-1-ethynylbenzene

: 141-78-6
ethyl acetate

: 81532-79-8
4-(4-bromophenyl)-3-butyn-2-one

Guidance literature:: 4-bromo-1-ethynylbenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

ethyl acetate; With boron trifluoride diethyl etherate; In tetrahydrofuran; hexane; at -78 ℃; for 2.5h;
DOI:10.1021/acs.orglett.8b01787