Butanedioic acid, mono(2-((dichloroacetyl)amino)-3-hydroxy-1-(4-nitrophenyl)propyl) ester, (R-(R,R))-

Base Information

Chemical Name:Butanedioic acid, mono(2-((dichloroacetyl)amino)-3-hydroxy-1-(4-nitrophenyl)propyl) ester, (R-(R*,R*))-
CAS No.:75725-02-9
Molecular Formula:C15H16Cl2N2O8
Molecular Weight:423.207
Hs Code.:
DSSTox Substance ID:DTXSID70226619
Nikkaji Number:J186.558G
Wikidata:Q83106097
Mol file:75725-02-9.mol

Synonyms:75725-02-9;Butanedioic acid, mono(2-((dichloroacetyl)amino)-3-hydroxy-1-(4-nitrophenyl)propyl) ester, (R-(R*,R*))-;DTXSID70226619;Succinic acid hydrogen 1-[(2R,3R)-3-(4-nitrophenyl)-2-(dichloroacetylamino)-1-hydroxypropan-3-yl] ester

Suppliers and Price of Butanedioic acid, mono(2-((dichloroacetyl)amino)-3-hydroxy-1-(4-nitrophenyl)propyl) ester, (R-(R*,R*))-

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

Total 0 raw suppliers

Chemical Property of Butanedioic acid, mono(2-((dichloroacetyl)amino)-3-hydroxy-1-(4-nitrophenyl)propyl) ester, (R-(R*,R*))-

Chemical Property:

Vapor Pressure:2.31E-20mmHg at 25°C
Boiling Point:696.5°Cat760mmHg
Flash Point:375°C
PSA：162.24000
Density:1.536g/cm³
LogP:2.68820
XLogP3:1.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:10
Exact Mass:422.0283709
Heavy Atom Count:27
Complexity:546

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)OC(=O)CCC(=O)O)[N+](=O)[O-]
Isomeric SMILES:C1=CC(=CC=C1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)OC(=O)CCC(=O)O)[N+](=O)[O-]

Technology Process of Butanedioic acid, mono(2-((dichloroacetyl)amino)-3-hydroxy-1-(4-nitrophenyl)propyl) ester, (R-(R*,R*))-

There total 1 articles about Butanedioic acid, mono(2-((dichloroacetyl)amino)-3-hydroxy-1-(4-nitrophenyl)propyl) ester, (R-(R*,R*))- 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:

: 3544-94-3
threo-(1R,2R)-1-(4-nitrophenyl)-2-(dichloroacetamido)-1,3-propanediol 3-succinate

: 75725-02-9
chloroamphenicol-1-monosuccinate

Guidance literature:: With sodium hydroxide; In water; Ambient temperature; pH 7.5; rearrangement of chloramphenicol-3-monosuccinate, equilibrium mixture with chloramphenicol-1-monosuccinate;
DOI:10.1002/jps.2600690812

Reference yield:

: 75725-02-9
chloroamphenicol-1-monosuccinate

: 3544-94-3
threo-(1R,2R)-1-(4-nitrophenyl)-2-(dichloroacetamido)-1,3-propanediol 3-succinate

Guidance literature:: Rate constant; Equilibrium constant; phosphate buffer; rearrangement of chloramphenicol-3-monosuccinate to chloramphenicol-1-monosuccinate in vitr in a phosphate buffer and in human plasma at physiological pH and temperature;
DOI:10.1002/jps.2600690813