2-Bromo-3-oxobutanal

Base Information

Chemical Name:2-Bromo-3-oxobutanal
CAS No.:87005-15-0
Molecular Formula:C4H5BrO2
Molecular Weight:164.986
Hs Code.:2914700090
European Community (EC) Number:834-517-5
DSSTox Substance ID:DTXSID90453763
Nikkaji Number:J1.057.251G
Mol file:87005-15-0.mol

Synonyms:2-bromo-3-oxobutanal;87005-15-0;Butanal, 2-bromo-3-oxo-;SCHEMBL1203756;LOGAXLAFZKOKQR-UHFFFAOYSA-;DTXSID90453763;MFCD16301146;AKOS022300110;CS-0253542;EN300-64679;InChI=1/C4H5BrO2/c1-3(7)4(5)2-6/h2,4H,1H3

Suppliers and Price of 2-Bromo-3-oxobutanal

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

TRC
2-bromo-3-oxobutanal
250mg
$ 310.00

TRC
2-bromo-3-oxobutanal
25mg
$ 45.00

Total 3 raw suppliers

Chemical Property of 2-Bromo-3-oxobutanal

Chemical Property:

Melting Point:109-110 °C
Boiling Point:175.5±25.0 °C(Predicted)
PKA:3.16±0.29(Predicted)
PSA：34.14000
Density:1.608±0.06 g/cm3(Predicted)
LogP:0.53780
XLogP3:0.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:163.94729
Heavy Atom Count:7
Complexity:89.7

Purity/Quality:: 2-bromo-3-oxobutanal ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 2-Bromo-3-oxobutanal

There total 10 articles about 2-Bromo-3-oxobutanal 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: 78.0%

: 41125-09-1,14975-15-6,926-59-0
3-oxo-butyraldehyde; sodium enolate

: 87005-15-0
α-bromoacetoacetaldehyde

Guidance literature:: With bromine; In dichloromethane; at -78 ℃; for 24h;

Reference yield:

: 75-07-0,9002-91-9
acetaldehyde

: 67-64-1
acetone

: 87005-15-0
α-bromoacetoacetaldehyde

Guidance literature:: acetaldehyde; acetone; With sodium methylate; In diethyl ether; at 25 - 30 ℃; for 0.25h; Inert atmosphere;

With bromine; In dichloromethane; at -70 ℃; for 8h;