5-[(4-Chlorophenyl)amino]-5-oxopentanoic acid

Base Information

Chemical Name:5-[(4-Chlorophenyl)amino]-5-oxopentanoic acid
CAS No.:40828-92-0
Molecular Formula:C11H12ClNO3
Molecular Weight:241.674
Hs Code.:2924299090
European Community (EC) Number:668-529-5
DSSTox Substance ID:DTXSID70354183
Wikidata:Q82132183
ChEMBL ID:CHEMBL1491087
Mol file:40828-92-0.mol

Synonyms:5-[(4-chlorophenyl)amino]-5-oxopentanoic acid;40828-92-0;5-(4-chloroanilino)-5-oxopentanoic acid;5-((4-Chlorophenyl)amino)-5-oxopentanoic acid;4-[(4-chlorophenyl)carbamoyl]butanoic acid;N-(4-CHLOROPHENYL)GLUTARAMIC ACID;CBKinase1_000061;CBKinase1_012461;Cambridge id 5276890;TimTec1_006546;Oprea1_355871;Oprea1_843056;MLS000714067;CHEMBL1491087;DTXSID70354183;HMS1552J12;HMS2633E24;HMS3360C02;BBL014429;MFCD00029854;STK414461;AKOS000520871;SMR000273547;VS-04299;CS-0266410;FT-0683285;AB00078753-01;Z57705958

Suppliers and Price of 5-[(4-Chlorophenyl)amino]-5-oxopentanoic 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

AK Scientific
5-[(4-Chlorophenyl)amino]-5-oxopentanoicacid
500mg
$ 263.00

Biosynth Carbosynth
5-[(4-Chlorophenyl)amino]-5-oxopentanoic acid
500 mg
$ 100.00

Biosynth Carbosynth
5-[(4-Chlorophenyl)amino]-5-oxopentanoic acid
5 g
$ 578.00

ChemBridge Corporation
5-[(4-chlorophenyl)amino]-5-oxopentanoicacid 95%
250 mg
$ 31.00

Crysdot
5-((4-Chlorophenyl)amino)-5-oxopentanoicacid 95+%
5g
$ 499.00

Matrix Scientific
5-[(4-Chlorophenyl)amino]-5-oxopentanoic acid
500mg
$ 158.00

Total 4 raw suppliers

Chemical Property of 5-[(4-Chlorophenyl)amino]-5-oxopentanoic acid

Chemical Property:

Vapor Pressure:7.1E-11mmHg at 25°C
Boiling Point:501.4°C at 760 mmHg
PKA:4.63±0.10(Predicted)
Flash Point:257.1°C
PSA：66.40000
Density:1.353g/cm³
LogP:2.60640
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:241.0505709
Heavy Atom Count:16
Complexity:250

Purity/Quality:

98%min ^*data from raw suppliers

5-[(4-Chlorophenyl)amino]-5-oxopentanoicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1NC(=O)CCCC(=O)O)Cl

Technology Process of 5-[(4-Chlorophenyl)amino]-5-oxopentanoic acid

There total 2 articles about 5-[(4-Chlorophenyl)amino]-5-oxopentanoic 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:

: 108-55-4
glutaric anhydride,

: 106-47-8
4-chloro-aniline

: 40828-92-0
N-(4-Chlorphenyl)-glutaramidsaeure

Guidance literature:: DOI:10.1039/jr9570002104

Reference yield:

: 40828-92-0
N-(4-Chlorphenyl)-glutaramidsaeure

Guidance literature:: Entspr. Amin, Glutarsaeureanhydrid;
DOI:10.1021/jf60190a002

Reference yield: 60.0%

: 517-89-5
shikonin

: 40828-92-0
N-(4-Chlorphenyl)-glutaramidsaeure

: (R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl 5-((4-chlorophenyl) amino)-5-oxopentanoate

Guidance literature:: N-(4-Chlorphenyl)-glutaramidsaeure; With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at 20 ℃; for 0.5h;

shikonin; In dichloromethane; for 4h; Cooling with ice;
DOI:10.1016/j.bioorg.2021.104872