4-(4-Chloro-3-methylphenyl)-4-oxobutanoic acid

Base Information

Chemical Name:4-(4-Chloro-3-methylphenyl)-4-oxobutanoic acid
CAS No.:54557-91-4
Molecular Formula:C11H11ClO3
Molecular Weight:226.66
Hs Code.:2918300090
DSSTox Substance ID:DTXSID70374008
Wikidata:Q82162446
Mol file:54557-91-4.mol

Synonyms:54557-91-4;4-(4-chloro-3-methylphenyl)-4-oxobutanoic acid;4-(4-Chloro-3-methylphenyl)-4-oxobutyric acid;SCHEMBL11536711;DTXSID70374008;MFCD06201697;AKOS016008755;4-(4-chloro-3-methylphenyl)-4-oxobutanoicacid;4-(4-Chloro-3-methyl-phenyl)-4-oxo-butyric acid

Suppliers and Price of 4-(4-Chloro-3-methylphenyl)-4-oxobutanoic acid

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

Rieke Metals
4-(4-Chloro-3-methylphenyl)-4-oxobutyricacid 97%
5g
$ 1250.00

Rieke Metals
4-(4-Chloro-3-methylphenyl)-4-oxobutyricacid 97%
2g
$ 529.00

Rieke Metals
4-(4-Chloro-3-methylphenyl)-4-oxobutyricacid 97%
1g
$ 303.00

Matrix Scientific
4-(4-Chloro-3-methylphenyl)-4-oxobutyric acid
1g
$ 319.00

Matrix Scientific
4-(4-Chloro-3-methylphenyl)-4-oxobutyric acid
2g
$ 525.00

Matrix Scientific
4-(4-Chloro-3-methylphenyl)-4-oxobutyric acid
5g
$ 1165.00

Crysdot
4-(4-Chloro-3-methylphenyl)-4-oxobutanoicacid 95+%
5g
$ 662.00

American Custom Chemicals Corporation
4-(4-CHLORO-3-METHYLPHENYL)-4-OXOBUTYRIC ACID 95.00%
1G
$ 387.45

Alichem
4-(4-Chloro-3-methylphenyl)-4-oxobutanoicacid
1g
$ 400.00

AK Scientific
4-(4-Chloro-3-methylphenyl)-4-oxobutanoicacid
5g
$ 1622.00

Total 13 raw suppliers

Chemical Property of 4-(4-Chloro-3-methylphenyl)-4-oxobutanoic acid

Chemical Property:

Vapor Pressure:5.69E-08mmHg at 25°C
Melting Point:117.3-118.1 °C
Boiling Point:424.7°C at 760 mmHg
PKA:4.45±0.17(Predicted)
Flash Point:210.7°C
PSA：54.37000
Density:1.281g/cm³
LogP:2.69590
Storage Temp.:2-8°C
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:226.0396719
Heavy Atom Count:15
Complexity:252

Purity/Quality:

≥95% ^*data from raw suppliers

4-(4-Chloro-3-methylphenyl)-4-oxobutyricacid 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C=CC(=C1)C(=O)CCC(=O)O)Cl

Technology Process of 4-(4-Chloro-3-methylphenyl)-4-oxobutanoic acid

There total 3 articles about 4-(4-Chloro-3-methylphenyl)-4-oxobutanoic acid 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: 67.0%

: 108-30-5
succinic acid anhydride

: 95-49-8
2-methylchlorobenzene

: 54557-91-4
4-(4-chloro-3-methylphenyl)-4-oxobutanoic acid

Guidance literature:: succinic acid anhydride; 2-methylchlorobenzene; With aluminum (III) chloride; for 2h; Reflux;

With hydrogenchloride; In water;

Reference yield:

: dimethyl [2-(4-chloro-3-methylphenyl)-2-oxoethyl]propanedioate

: 54557-91-4
4-(4-chloro-3-methylphenyl)-4-oxobutanoic acid

Guidance literature:: With hydrogenchloride; In water; at 100 ℃; for 144h;

Reference yield:

: 205178-80-9
2-Bromo-1-(4-chloro-3-methylphenyl)ethan-1-one

: 54557-91-4
4-(4-chloro-3-methylphenyl)-4-oxobutanoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: potassium carbonate / acetone / 18 h / 20 °C

2: hydrogenchloride / water / 144 h / 100 °C

With hydrogenchloride; potassium carbonate; In water; acetone;