2-(4-Bromophenyl)-4-pentyn-2-ol

Base Information

Chemical Name:2-(4-Bromophenyl)-4-pentyn-2-ol
CAS No.:85014-12-6
Molecular Formula:C11H11BrO
Molecular Weight:239.112
Hs Code.:
DSSTox Substance ID:DTXSID301241844
Nikkaji Number:J1.365.511A

Synonyms:2-(4-bromophenyl)-4-pentyn-2-ol;85014-12-6;2-(4-bromophenyl)pent-4-yn-2-ol;Benzenemethanol, 4-bromo-a-methyl-a-2-propynyl-;SCHEMBL17383658;DTXSID301241844;AC6930;MFCD18296117;AKOS012525271;SY047133;CS-0458955;A915179;4-Bromo-alpha-methyl-alpha-2-propyn-1-ylbenzenemethanol

Suppliers and Price of 2-(4-Bromophenyl)-4-pentyn-2-ol

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

Chemenu
2-(4-Bromophenyl)-4-pentyn-2-ol 95%
5g
$ 635.00

AK Scientific
2-(4-Bromophenyl)-4-pentyn-2-ol
5g
$ 802.00

Total 4 raw suppliers

Chemical Property of 2-(4-Bromophenyl)-4-pentyn-2-ol

Chemical Property:

Boiling Point:334.4±27.0 °C(Predicted)
PSA：20.23000
Density:1.405±0.06 g/cm3(Predicted)
LogP:2.67990
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:237.99933
Heavy Atom Count:13
Complexity:209

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Bromophenyl)-4-pentyn-2-ol 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 2-(4-Bromophenyl)-4-pentyn-2-ol

There total 5 articles about 2-(4-Bromophenyl)-4-pentyn-2-ol 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%

: 99-90-1
para-bromoacetophenone

: 106-96-7
propargyl bromide

: 85014-12-6
2-(4-bromophenyl)-4-pentyn-2-ol

Guidance literature:: With magnesium; at -10 - -5 ℃; for 0.416667h; regioselective reaction; Green chemistry;
DOI:10.2174/1570178616666190926104037

Reference yield: 71.0%

: 99-90-1
para-bromoacetophenone

: 659-86-9
propargyl iodide

: 58705-82-1
2-(4-bromophenyl)-3,4-pentadien-2-ol

: 85014-12-6
2-(4-bromophenyl)-4-pentyn-2-ol

Guidance literature:: With cerium; mercury; In tetrahydrofuran; Title compound not separated from byproducts; 1) 0 deg C, 4h, 2) RT, 17h;
DOI:10.1021/jo00195a006

Reference yield:

: 99-90-1
para-bromoacetophenone

: 100-52-7
benzaldehyde

: 85014-12-6
2-(4-bromophenyl)-4-pentyn-2-ol

Guidance literature:: para-bromoacetophenone; With zinc; In tetrahydrofuran; toluene; at 20 ℃; Inert atmosphere;

benzaldehyde; With ammonium chloride; In tetrahydrofuran; toluene; at 20 ℃; Inert atmosphere;
DOI:10.1021/acs.joc.0c00061