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

Base Information

Chemical Name:5-Pyrimidineacetic acid, hexahydro-1-((2-chlorobenzoyl)amino)-4,6-dioxo-alpha-methyl-3-phenyl-2-thioxo-
CAS No.:153260-30-1
Molecular Formula:C20H16 Cl N3 O5 S
Molecular Weight:445.8761
Hs Code.:
DSSTox Substance ID:DTXSID80934713
Nikkaji Number:J563.161K

Synonyms:153260-30-1;5-Pyrimidineacetic acid, hexahydro-1-((2-chlorobenzoyl)amino)-4,6-dioxo-alpha-methyl-3-phenyl-2-thioxo-;C20H16ClN3O5S;DTXSID80934713;C20-H16-Cl-N3-O5-S;LS-134587;1-[(2-Chlorobenzoyl)amino]-3-phenyl-alpha-methyl-2-thioxo-4,6-dioxohexahydropyrimidine-5-acetic acid;2-(1-{[(2-Chlorophenyl)(hydroxy)methylidene]amino}-4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-5-yl)propanoic acid

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

Chemical Property:

Density:1.56g/cm³
XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:445.0499195
Heavy Atom Count:30
Complexity:742

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)O

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

There total 4 articles about 5-Pyrimidineacetic acid, hexahydro-1-((2-chlorobenzoyl)amino)-4,6-dioxo-alpha-methyl-3-phenyl-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: 60.0%

: 598-72-1,10327-08-9
2-Bromopropionic acid

: 153260-29-8
N-(3-phenyl-2-thioxo-2,5-dihydro-4,6-pyrimidinedionyl)-2-chlorobenzoic acid amide

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

Guidance literature:: With triethylamine; In benzene; 1.) 2 h, 2.) reflux, 6 h;
DOI:10.1016/0223-5234(93)90096-W

Reference yield:

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

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

Guidance literature:: Multi-step reaction with 2 steps

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

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

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

Reference yield:

: 103-72-0
phenyl isothiocyanate

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

Guidance literature:: Multi-step reaction with 3 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

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