Ethyl 4-(3-chlorophenyl)-2,4-dioxobutanoate

Base Information

Chemical Name:Ethyl 4-(3-chlorophenyl)-2,4-dioxobutanoate
CAS No.:57961-48-5
Molecular Formula:C12H11ClO4
Molecular Weight:254.67
Hs Code.:2918300090
DSSTox Substance ID:DTXSID10453548
Wikidata:Q82274706
Mol file:57961-48-5.mol

Synonyms:Ethyl 4-(3-chlorophenyl)-2,4-dioxobutanoate;57961-48-5;Ethyl4-(3-chlorophenyl)-2,4-dioxobutanoate;SCHEMBL1544855;DTXSID10453548;MPOQGAGGKJCZIT-UHFFFAOYSA-N;MFCD11131360;AKOS000210496;AS-40505;CS-0453861;ethyl-4-(3-chlorophenyl)-2,4-dioxobutanoate;A18928;EN300-170276;4-(3-chloro-phenyl)-2,4-dioxo-butyric acid ethyl ester;Benzenebutanoic acid, 3-chloro-.alpha.,.gaMMa.-dioxo-, ethyl est

Suppliers and Price of Ethyl 4-(3-chlorophenyl)-2,4-dioxobutanoate

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
Ethyl4-(3-chlorophenyl)-2,4-dioxobutanoate
250mg
$ 55.00

Crysdot
Ethyl4-(3-chlorophenyl)-2,4-dioxobutanoate 95+%
10g
$ 395.00

American Custom Chemicals Corporation
ETHYL-4-(3-CHLOROPHENYL)-2,4-DIOXOBUTANOATE 95.00%
5MG
$ 495.70

Alichem
Ethyl4-(3-chlorophenyl)-2,4-dioxobutanoate
5g
$ 446.00

Alichem
Ethyl4-(3-chlorophenyl)-2,4-dioxobutanoate
1g
$ 157.94

Alichem
Ethyl4-(3-chlorophenyl)-2,4-dioxobutanoate
10g
$ 655.62

AK Scientific
Ethyl4-(3-chlorophenyl)-2,4-dioxobutanoate
10g
$ 611.00

AK Scientific
Ethyl4-(3-chlorophenyl)-2,4-dioxobutanoate
1g
$ 157.00

AK Scientific
Ethyl4-(3-chlorophenyl)-2,4-dioxobutanoate
5g
$ 371.00

Acrotein
Ethyl3-chloro-a,g-dioxo-benzenebutanoate 97%
5g
$ 357.50

Total 12 raw suppliers

Chemical Property of Ethyl 4-(3-chlorophenyl)-2,4-dioxobutanoate

Chemical Property:

Melting Point:51-52 °C
Boiling Point:391.2±27.0 °C(Predicted)
PKA:6.09±0.46(Predicted)
PSA：60.44000
Density:1.276±0.06 g/cm3(Predicted)
LogP:2.04500
Storage Temp.:2-8°C
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:254.0345865
Heavy Atom Count:17
Complexity:314

Purity/Quality:

97% ^*data from raw suppliers

Ethyl4-(3-chlorophenyl)-2,4-dioxobutanoate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(=O)CC(=O)C1=CC(=CC=C1)Cl

Technology Process of Ethyl 4-(3-chlorophenyl)-2,4-dioxobutanoate

There total 4 articles about Ethyl 4-(3-chlorophenyl)-2,4-dioxobutanoate 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: 99.0%

: 57961-48-5
ethyl 4-(3-chlorophenyl)-2,4-dioxobutanoate

Guidance literature:: With sodium hydride; In N,N-dimethyl-formamide; at 0 - 45 ℃; for 1.75h;

Reference yield: 84.0%

: 95-92-1
oxalic acid diethyl ester

: 99-02-5
3'-Chloroacetophenone

: 57961-48-5
ethyl 4-(3-chlorophenyl)-2,4-dioxobutanoate

Guidance literature:: With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 20 ℃; for 16.8h; Cooling with ice;

Reference yield:

: 587-04-2
m-Chlorobenzaldehyde

: 57961-48-5
ethyl 4-(3-chlorophenyl)-2,4-dioxobutanoate

Guidance literature:: Multi-step reaction with 3 steps

1: tetrahydrofuran / 3.17 h / 0 - 20 °C / Inert atmosphere

2: silica gel; manganese(IV) oxide / acetonitrile / 8 h / 70 °C / Molecular sieve

3: sodium hydride / toluene / 2 h / 90 °C

With manganese(IV) oxide; silica gel; sodium hydride; In tetrahydrofuran; toluene; acetonitrile;
DOI:10.1016/j.ejmech.2018.09.053