4-{4,7-Bis[2-(tert-butoxy)-2-oxoethyl]-1,4,7-triazonan-1-yl}-5-(tert-butoxy)-5-oxopentanoic acid | CAS No. 438553-50-5

4-{4,7-Bis[2-(tert-butoxy)-2-oxoethyl]-1,4,7-triazonan-1-yl}-5-(tert-butoxy)-5-oxopentanoic acid

Basic Information

CAS Number

438553-50-5

Molecular Formula

C27H49N3O8

Molecular Weight

543.69 g/mol

AD

Basic Physical Properties

OC(=O)CC[C@@H](C(=O)OC(C)(C)C)N1CCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

InChI

InChI=1S/C27H49N3O8/c1-25(2,3)36-22(33)18-28-12-13-29(19-23(34)37-26(4,5)6)15-17-30(16-14-28)20(10-11-21(31)32)24(35)38-27(7,8)9/h20H,10-19H2,1-9H3,(H,31,32)/t20-/m0/s1

InChIKey

ADHGPCATMVZKLP-FQEVSTJZSA-N

LogP

2.1645000000000048

Topological Polar Surface Area

125.92 Ų

Hydrogen Bond Donor/Acceptor

1 / 11

Complexity

769

Synonyms & References

English

  • 4-{4,7-bis[2-(tert-butoxy)-2-oxoethyl]-1,4,7-triazonan-1-yl}-5-(tert-butoxy)-5-oxopentanoic acid
  • 4-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7-triazonan-1-yl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
  • NODAGA( tBu)3
  • 2-[4,7-Bis(2-oxo-2-tert-butoxyethyl)-1,4,7-triazacyclononane-1-yl]pentanedioic acid 1-tert-butyl ester
  • 4-(4,7-bis(2-(t-butoxy)-2-oxoethyl)-1,4,7-triazacyclononane-1-yl)-5(t-butoxy)-5-oxopentanoic acid

MDL Number

MFCD29083820

FAQ

What regulatory guidelines apply to 4-{4,7-Bis[2-(tert-butoxy)-2-oxoethyl]-1,4,7-triazonan-1-yl}-5-(tert-butoxy)-5-oxopentanoic acid (CAS: 438553-50-5)?

The regulatory guidelines for 4-{4,7-Bis[2-(tert-butoxy)-2-oxoethyl]-1,4,7-triazonan-1-yl}-5-(tert-butoxy)-5-oxopentanoic acid (CAS: 438553-50-5) include the GHS (Global Harmonized System of Classification and Labelling of Chemicals) for classification and labelling, REACH (Registration, Evaluation, Authorisation and Restriction of Chemicals) for registration, and FDA and EPA requirements for safety and environmental protection. Detailed information on these guidelines can be found in the relevant chemical safety data sheets and regulatory databases.

Are there alternatives to 4-{4,7-Bis[2-(tert-butoxy)-2-oxoethyl]-1,4,7-triazonan-1-yl}-5-(tert-butoxy)-5-oxopentanoic acid (CAS: 438553-50-5) in synthesis?

In the synthesis of 4-{4,7-Bis[2-(tert-butoxy)-2-oxoethyl]-1,4,7-triazonan-1-yl}-5-(tert-butoxy)-5-oxopentanoic acid (CAS: 438553-50-5), researchers may consider using analogs such as related triazolyl derivatives or other substituted pentanoic acids as alternatives. Common alternative reagents include various carboxylic acids, aldehydes, and ketones, which can be used to synthesize structurally similar compounds with similar properties.

What is the market or research trend for 4-{4,7-Bis[2-(tert-butoxy)-2-oxoethyl]-1,4,7-triazonan-1-yl}-5-(tert-butoxy)-5-oxopentanoic acid (CAS: 438553-50-5)?

The market for 4-{4,7-Bis[2-(tert-butoxy)-2-oxoethyl]-1,4,7-triazonan-1-yl}-5-(tert-butoxy)-5-oxopentanoic acid (CAS: 438553-50-5) is currently driven by its applications in pharmaceuticals, fine chemicals, and research. Research trends are focusing on its potential as a precursor or intermediate in the synthesis of new drugs and materials. Demand is expected to grow as more applications are discovered, and price trends will be influenced by supply chain dynamics and market demand for related chemicals.

How should waste containing 4-{4,7-Bis[2-(tert-butoxy)-2-oxoethyl]-1,4,7-triazonan-1-yl}-5-(tert-butoxy)-5-oxopentanoic acid (CAS: 438553-50-5) be handled?

Waste containing 4-{4,7-Bis[2-(tert-butoxy)-2-oxoethyl]-1,4,7-triazonan-1-yl}-5-(tert-butoxy)-5-oxopentanoic acid (CAS: 438553-50-5) should be collected in appropriate containers and then incinerated or professionally disposed of according to local regulations. Environmental protection precautions include ensuring the waste is neutralized and stabilized before disposal to minimize environmental impact. Compliance with GHS and REACH regulations is crucial to ensure safe waste management practices.

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