Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester

Base Information

Chemical Name:Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester
CAS No.:873079-69-7
Molecular Formula:C22H41NO4
Molecular Weight:383.572
Hs Code.:
UNII:8782Z45DLV
ChEMBL ID:CHEMBL574723
DSSTox Substance ID:DTXSID60236282
Nikkaji Number:J3.560.360C
Wikidata:Q27269809
Mol file:873079-69-7.mol

Synonyms:873079-69-7;AX-048;AX 048;Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester;UNII-8782Z45DLV;ethyl 4-(2-oxohexadecanoylamino)butanoate;8782Z45DLV;Butanoic acid, 4-[(1,2-dioxohexadecyl)amino]-, ethyl ester;ethyl 4-(2-oxohexadecanamido)butanoate;CHEMBL574723;SCHEMBL4781039;DTXSID60236282;AKOS040755666;ethyl 4-[(2-oxohexadecanoyl)amino] butanoate;Q27269809;4- [(1, 2- dioxohexadecyl)amino]- butanoic acid, ethyl ester

Suppliers and Price of Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester

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

Cayman Chemical
AX 048 ≥98%
5mg
$ 1014.00

Cayman Chemical
AX 048 ≥98%
1mg
$ 258.00

Cayman Chemical
AX 048 ≥98%
500μg
$ 136.00

AK Scientific
Butanoicacid,4-((1,2-dioxohexadecyl)amino)-,ethylester
5mg
$ 1366.00

Total 22 raw suppliers

Chemical Property of Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester

Chemical Property:

PSA：72.47000
LogP:5.49710
XLogP3:6.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:20
Exact Mass:383.30355879
Heavy Atom Count:27
Complexity:396

Purity/Quality:

≥98% ^*data from raw suppliers

AX 048 ≥98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCCCCCCCCCCCC(=O)C(=O)NCCCC(=O)OCC

Technology Process of Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester

There total 3 articles about Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester 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: 86.0%

: ethyl 4-[(2-hydroxyhexadecanoyl)amino]butanoate

: 873079-69-7
ethyl 4-[(2-oxohexadecanoyl)amino]butanoate

Guidance literature:: With 4-acetylamino-2,2,6,6-tetramethylpiperidine-N-oxyl; sodium hypochlorite; sodium bromide; sodium hydrogencarbonate; In water; ethyl acetate; toluene; at -5 - 0 ℃; for 1.25h;
DOI:10.1124/jpet.105.091686

Reference yield:

: 764-67-0,10067-06-8
2-hydroxypalmitic acid

: 873079-69-7
ethyl 4-[(2-oxohexadecanoyl)amino]butanoate

Guidance literature:: Multi-step reaction with 2 steps

1: 72 percent / Et₃N; 1-(3-dimethylaminopropyl)-3-ethyl carbodiimide; 1-hydroxybenzotriazole / CH₂Cl₂ / 0 - 20 °C

2: 86 percent / NaBr; 4-acetamido-2,2,6,6-tetramethylpiperidine-1-yloxyl; NaOCl / NaHCO₃ / toluene; ethyl acetate; H₂O / 1.25 h / -5 - 0 °C

With 4-acetylamino-2,2,6,6-tetramethylpiperidine-N-oxyl; sodium hypochlorite; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine; sodium bromide; sodium hydrogencarbonate; In dichloromethane; water; ethyl acetate; toluene;
DOI:10.1124/jpet.105.091686

Reference yield:

: 5959-36-4
ethyl 4-aminobutyrate

: 873079-69-7
ethyl 4-[(2-oxohexadecanoyl)amino]butanoate

Guidance literature:: Multi-step reaction with 2 steps

1: 72 percent / Et₃N; 1-(3-dimethylaminopropyl)-3-ethyl carbodiimide; 1-hydroxybenzotriazole / CH₂Cl₂ / 0 - 20 °C

2: 86 percent / NaBr; 4-acetamido-2,2,6,6-tetramethylpiperidine-1-yloxyl; NaOCl / NaHCO₃ / toluene; ethyl acetate; H₂O / 1.25 h / -5 - 0 °C

With 4-acetylamino-2,2,6,6-tetramethylpiperidine-N-oxyl; sodium hypochlorite; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine; sodium bromide; sodium hydrogencarbonate; In dichloromethane; water; ethyl acetate; toluene;
DOI:10.1124/jpet.105.091686