5-Pyrimidineacetic acid, hexahydro-1-((2-chlorobenzoyl)amino)-4,6-dioxo-alpha-methyl-3-phenyl-5-((phenylamino)methyl)-2-thioxo-

Base Information

Chemical Name:5-Pyrimidineacetic acid, hexahydro-1-((2-chlorobenzoyl)amino)-4,6-dioxo-alpha-methyl-3-phenyl-5-((phenylamino)methyl)-2-thioxo-
CAS No.:153260-35-6
Molecular Formula:C₂₇H₂₃ClN₄O₅S
Molecular Weight:551.022
Hs Code.:
DSSTox Substance ID:DTXSID40934714
Mol file:153260-35-6.mol

Synonyms:153260-35-6;5-Pyrimidineacetic acid, hexahydro-1-((2-chlorobenzoyl)amino)-4,6-dioxo-alpha-methyl-3-phenyl-5-((phenylamino)methyl)-2-thioxo-;C27H23ClN4O5S;DTXSID40934714;C27-H23-Cl-N4-O5-S;LS-134586;N-{5-[1-(Anilinomethoxy)-1-oxopropan-2-yl]-4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-1-yl}-2-chlorobenzene-1-carboximidic acid

Suppliers and Price of 5-Pyrimidineacetic acid, hexahydro-1-((2-chlorobenzoyl)amino)-4,6-dioxo-alpha-methyl-3-phenyl-5-((phenylamino)methyl)-2-thioxo-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 5-Pyrimidineacetic acid, hexahydro-1-((2-chlorobenzoyl)amino)-4,6-dioxo-alpha-methyl-3-phenyl-5-((phenylamino)methyl)-2-thioxo-

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:1.46g/cm³
XLogP3:5.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:550.1077687
Heavy Atom Count:38
Complexity:908

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C1C(=O)N(C(=S)N(C1=O)NC(=O)C2=CC=CC=C2Cl)C3=CC=CC=C3)C(=O)OCNC4=CC=CC=C4

Technology Process of 5-Pyrimidineacetic acid, hexahydro-1-((2-chlorobenzoyl)amino)-4,6-dioxo-alpha-methyl-3-phenyl-5-((phenylamino)methyl)-2-thioxo-

There total 5 articles about 5-Pyrimidineacetic acid, hexahydro-1-((2-chlorobenzoyl)amino)-4,6-dioxo-alpha-methyl-3-phenyl-5-((phenylamino)methyl)-2-thioxo- 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: 45.0%

: 50-00-0,30525-89-4,61233-19-0
formaldehyd

: 62-53-3
aniline

: 153260-30-1
N-<3-phenyl-2-thioxo-2,5-dihydro-3-(2-chlorophenylcarboxamido)-4,6-pyrimidinedionyl>propionic acid

: 153260-35-6
N-<3-phenyl-2-thioxo-2,5-dihydro-3-(2-chlorophenylcarboxamido)-5-anilinomethyl-4,6-pyrimidinedionyl>propionic acid

Guidance literature:: In benzene; for 4h; Heating;
DOI:10.1016/0223-5234(93)90096-W

Reference yield:

: 26036-04-4
1-(o-chlorobenzoyl)-4-phenyl-3-thiosemicarbazide

: 153260-35-6
N-<3-phenyl-2-thioxo-2,5-dihydro-3-(2-chlorophenylcarboxamido)-5-anilinomethyl-4,6-pyrimidinedionyl>propionic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 70 percent / acetyl chloride / 4 h / 50 °C

2: 60 percent / triethylamine / benzene / 1.) 2 h, 2.) reflux, 6 h

3: 45 percent / benzene / 4 h / Heating

With triethylamine; acetyl chloride; In benzene;
DOI:10.1016/0223-5234(93)90096-W

Reference yield:

: 103-72-0
phenyl isothiocyanate

: 153260-35-6
N-<3-phenyl-2-thioxo-2,5-dihydro-3-(2-chlorophenylcarboxamido)-5-anilinomethyl-4,6-pyrimidinedionyl>propionic acid

Guidance literature:: Multi-step reaction with 4 steps

1: ethanol / 8 h / Heating

2: 70 percent / acetyl chloride / 4 h / 50 °C

3: 60 percent / triethylamine / benzene / 1.) 2 h, 2.) reflux, 6 h

4: 45 percent / benzene / 4 h / Heating

With triethylamine; acetyl chloride; In ethanol; benzene;
DOI:10.1016/0223-5234(93)90096-W