(4,7,10-Tris{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-1,4,7,10-tetraazacyclododecan-1-yl)acetic acid

Basic Information

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CAS Number

137076-54-1

Molecular Formula

C28H52N4O8

Molecular Weight

572.74 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

129-131℃

Boiling Point

632.127°C at 760 mmHg

SMILES

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CC(C)(C)OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)O

InChI

InChI=1S/C28H52N4O8/c1-26(2,3)38-23(35)19-30-12-10-29(18-22(33)34)11-13-31(20-24(36)39-27(4,5)6)15-17-32(16-14-30)21-25(37)40-28(7,8)9/h10-21H2,1-9H3,(H,33,34)

InChIKey

RVUXZXMKYMSWOM-UHFFFAOYSA-N

LogP

1.3177000000000068

Topological Polar Surface Area

129.16 Å²

Hydrogen Bond Donor/Acceptor

1 / 12

Complexity

799

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

FT-0728089
AKOS015893988
[4,7,10-Tris(2-tert-butoxy-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetic acid
DTXSID90469329
J-006958
{4,7,10-TRIS[2-(TERT-BUTOXY)-2-OXOETHYL]-1,4,7,10-TETRAAZACYCLODODECAN-1-YL}ACETIC ACID
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 1,4,7-tris(1,1-dimethylethyl) ester
DOTA-tris (t-Bu ester) (~90%)
C28H52N4O8
2-(4,7,10-tris(2-t-butoxy-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl)acetic acid
MFCD02259697
4,7,10-Tri-(t-butyloxycarbonylmethyl)-1,4,7,10-tetraazacyclododecan-1-yl-acetic acid
137076-54-1
DOTA-tri-t-Bu-ester
TRI-TERT-BUTYL 1 4 7 10-TETRAAZACYCLODOD
2-(4,7,10-TRIS(2-TERT-BUTOXY-2-OXOETHYL)-1,4,7,10-TETRAAZACYCLODODECAN-1-YL)ACETIC ACID
2-(4,7,10-Tris(2-(tert-butoxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl)acetic acid
1,4,7,10-tetraazacyclododecane-1,4,7-tris-tert-butyl acetate-10-acetic acid
DOTA(OBu-t)3
SY053512
2-{4,7,10-tris[2-(tert-butoxy)-2-oxoethyl]-1,4,7,10-tetraazacyclododecan-1-yl}acetic acid
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic Acid Tri-tert-butyl Ester
BCP08918
Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate, >=95.0% (CHN)
T2642
Tri-tert-Bu-DOTA
DOTA(OtBu)3
CVY7P26TWY
DS-11439
1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid, tris(1,1-dimethylethyl) ester
DOTA(OtBu) hydrobromide salt

MDL Number

MFCD02259697

Customs Code

29339900

FAQ

What is (4,7,10-Tris{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-1,4,7,10-tetraazacyclododecan-1-yl)acetic acid (CAS: 137076-54-1)?

This compound is a cyclic polyamine with three 2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl groups attached to a 1,4,7,10-tetraazacyclododecane ring, and an acetic acid group at the 1-yl position. It is known for its complex structure and potential applications in pharmaceutical and chemical research. CAS number 137076-54-1 identifies this specific molecule.

What are the main uses of (4,7,10-Tris{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-1,4,7,10-tetraazacyclododecan-1-yl)acetic acid (CAS: 137076-54-1)?

This compound is primarily used in pharmaceutical research for its potential as a ligand or chelating agent. It may also find applications in organic synthesis and as a precursor for developing new drugs. Its unique structure makes it valuable for studying molecular interactions and functional chemistry.

Is (4,7,10-Tris{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-1,4,7,10-tetraazacyclododecan-1-yl)acetic acid (CAS: 137076-54-1) safe?

Safety data for this compound is limited, but as with many complex organic chemicals, it should be handled with appropriate precautions. It is advisable to use personal protective equipment (PPE) such as gloves and goggles when working with it. Always follow standard laboratory safety protocols to ensure safe handling and minimize exposure risks.

How should (4,7,10-Tris{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-1,4,7,10-tetraazacyclododecan-1-yl)acetic acid (CAS: 137076-54-1) be stored?

This compound should be stored in a cool, dry place away from light. It is recommended to keep it in a tightly sealed container to prevent moisture absorption. Storage at temperatures below 25°C is ideal to maintain stability and prolong shelf life.