2-(2-Butyl-4-methyl-6-oxo-1-{[2'-(1-trityl-1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1,6-dihydro-5-pyrimidinyl)-N,N-dimethylacetamide | CAS No. 503155-67-7

2-(2-Butyl-4-methyl-6-oxo-1-{[2'-(1-trityl-1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1,6-dihydro-5-pyrimidinyl)-N,N-dimethylacetamide

Basic Information

CAS Number

503155-67-7

Molecular Formula

C46H45N7O2

Molecular Weight

727.91 g/mol

AD

Basic Physical Properties

Density

1.17

CCCCc1nc(c(c(=O)n1Cc2ccc(cc2)c3ccccc3c4nnnn4C(c5ccccc5)(c6ccccc6)c7ccccc7)CC(=O)N(C)C)C

InChI

InChI=1S/C46H45N7O2/c1-5-6-26-42-47-33(2)41(31-43(54)51(3)4)45(55)52(42)32-34-27-29-35(30-28-34)39-24-16-17-25-40(39)44-48-49-50-53(44)46(36-18-10-7-11-19-36,37-20-12-8-13-21-37)38-22-14-9-15-23-38/h7-25,27-30H,5-6,26,31-32H2,1-4H3

InChIKey

WPSOLPSHOJWQBJ-UHFFFAOYSA-N

LogP

7.734020000000009

Topological Polar Surface Area

98.8 Ų

Hydrogen Bond Donor/Acceptor

0 / 9

Synonyms & References

English

  • 2-Butyl-1,6-dihydro-N,N,4-trimethyl-6-oxo-1-[[2'-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-5-pyrimidineacetamide
  • 2-(2-butyl-4-methyl-6-oxo-1-((2'-(1-phenyl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1,6-dihydropyrimidin-5-yl)-N,N-dimethylacetamide compound with 1,1'-biphenyl (1:1)

MDL Number

MFCD28399040

FAQ

What regulatory guidelines apply to 2-(2-Butyl-4-methyl-6-oxo-1-{[2'-(1-trityl-1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1,6-dihydro-5-pyrimidinyl)-N,N-dimethylacetamide (CAS: 503155-67-7)?

This compound falls under the scope of the REACH regulation in the European Union, which requires registration for substances above one tonne per year. In the United States, it would be regulated under the Toxic Substances Control Act (TSCA) by the EPA. Additionally, the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) will apply for hazard communication purposes, including the provision of safety data sheets (SDS) and appropriate hazard pictograms and signal words.

Are there alternatives to 2-(2-Butyl-4-methyl-6-oxo-1-{[2'-(1-trityl-1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1,6-dihydro-5-pyrimidinyl)-N,N-dimethylacetamide (CAS: 503155-67-7) in synthesis?

Alternative reagents in synthesis might include related pyrimidine derivatives or similar tetrazole-containing compounds, which could serve as structurally analogous substitutes. However, the choice of alternative reagents should be based on the specific chemical and biological properties desired in the final product, as well as the availability and cost of the alternatives.

What is the market or research trend for 2-(2-Butyl-4-methyl-6-oxo-1-{[2'-(1-trityl-1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1,6-dihydro-5-pyrimidinyl)-N,N-dimethylacetamide (CAS: 503155-67-7)?

The compound is primarily of interest in specialized research fields, such as drug discovery and development. Market trends suggest increasing interest in the use of complex organic compounds with multiple functional groups, which can be used as lead compounds in pharmaceutical and biotechnology research. Research trends indicate a focus on optimizing synthesis methods and exploring the biological activity of similar compounds.

How should waste containing 2-(2-Butyl-4-methyl-6-oxo-1-{[2'-(1-trityl-1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1,6-dihydro-5-pyrimidinyl)-N,N-dimethylacetamide (CAS: 503155-67-7) be handled?

Waste containing this compound should be collected in appropriate containers labeled with the chemical name and CAS number. It should be disposed of through a hazardous waste management system. Incineration is a common method for disposing of such organic compounds, and professional waste disposal services should be used to ensure compliance with environmental protection regulations. Additional precautions include the use of protective equipment and adherence to local environmental laws and regulations.

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