Bis(2-methyl-2-propanyl) 2,2'-(1,4,7,10-tetraazacyclododecane-1,7-diyl)diacetate

Basic Information

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CAS Number

162148-48-3

Molecular Formula

C20H40N4O4

Molecular Weight

400.56 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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

488.6°Cat760mmHg

Density

0.998

Water Solubility

Soluble in acetone, acetonitrile, ethyl Acetate, chloroforme, cyclohexane. Insoluble in water.

Flash Point

249.3°C

Refractive Index

1.459

SMILES

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CC(C)(C)OC(=O)CN1CCNCCN(CCNCC1)CC(=O)OC(C)(C)C

InChI

InChI=1S/C20H40N4O4/c1-19(2,3)27-17(25)15-23-11-7-21-9-13-24(14-10-22-8-12-23)16-18(26)28-20(4,5)6/h21-22H,7-16H2,1-6H3

InChIKey

OERWIIJOLSXGAQ-UHFFFAOYSA-N

LogP

0.4666000000000044

Topological Polar Surface Area

83.14000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 8

Complexity

430

Safety Information

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Sensitiveness

Hygroscopic

Synonyms & References

English

CS-0328603
FT-0674920
162148-48-3
1,7-Bis-(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane
di-tert-butyl 2,2'-(1,4,7,10-tetraazacyclododecane-1,7-diyl)diacetate
1,4,7,10-Tetraazacyclododecane-1,7-diacetic Acid 1,7-Bis(1,1-dimethylethyl) Ester
OERWIIJOLSXGAQ-UHFFFAOYSA-N
A882991
1,4,7,10-Tetraazacyclododecane-1,7-diacetic acid, bis(1,1-dimethylethyl) ester
tert-butyl 2-[7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
1,7-bis(carbo-tert-butoxymethyl)-1,4,7,10-tetraazacyclododecane
MFCD09263303
NCI60_034482
di-tert-butyl2,2'-(1,4,7,10-tetraazacyclododecane-1,7-diyl)diacetate
LWR5TPH9DY
SY240150
Di-tert-butyl 2,2 inverted exclamation mark -(1,4,7,10-Tetraazacyclododecane-1,7-diyl)diacetate
tert-butyl 2-{7-[2-(tert-butoxy)-2-oxoethyl]-1,4,7,10-tetraazacyclododecan-1-yl}acetate
AS-40731
NSC696842
1,7-BIS(TERT-BUTOXYCARBONYLMETHYL)-1,4,7,10-TETRAAZACYCLODODECANE
1,4,7,10-Tetraazacyclododecane-1,7-diacetic acid, 1,7-bis(1,1-dimethylethyl) ester
UNII-LWR5TPH9DY
AKOS024463020
NSC-696842
1,7-Bis(1,1-dimethylethyl) 1,4,7,10-tetraazacyclododecane-1,7-diacetate
SCHEMBL4134315
AM84547
tert-butyl 2-[7-(2-tert-butoxy-2-oxo-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CHEMBL1990690
DTXSID70327857

MDL Number

MFCD09263303

FAQ

What regulatory guidelines apply to Bis(2-methyl-2-propanyl) 2,2'-(1,4,7,10-tetraazacyclododecane-1,7-diyl)diacetate (CAS: 162148-48-3)?

Bis(2-methyl-2-propanyl) 2,2'-(1,4,7,10-tetraazacyclododecane-1,7-diyl)diacetate (CAS: 162148-48-3) falls under GHS classification as a flammable liquid. It is regulated under REACH for registration, evaluation, authorization, and restriction of chemicals. The FDA and EPA may also require specific labeling and handling guidelines for its use in pharmaceutical and environmental applications.

Are there alternatives to Bis(2-methyl-2-propanyl) 2,2'-(1,4,7,10-tetraazacyclododecane-1,7-diyl)diacetate (CAS: 162148-48-3) in synthesis?

Several alternatives can be used in the synthesis of Bis(2-methyl-2-propanyl) 2,2'-(1,4,7,10-tetraazacyclododecane-1,7-diyl)diacetate, including other diamines or different acetic acid derivatives. These alternatives can offer similar functionalities while potentially providing better reactivity or solubility in specific applications.

What is the market or research trend for Bis(2-methyl-2-propanyl) 2,2'-(1,4,7,10-tetraazacyclododecane-1,7-diyl)diacetate (CAS: 162148-48-3)?

The market for Bis(2-methyl-2-propanyl) 2,2'-(1,4,7,10-tetraazacyclododecane-1,7-diyl)diacetate is expanding in the pharmaceutical and polymer industries due to its unique chemical properties. Research trends focus on its potential use in drug delivery systems and as a stabilizer in polymer formulations. The demand is expected to grow as more applications are discovered.

How should waste containing Bis(2-methyl-2-propanyl) 2,2'-(1,4,7,10-tetraazacyclododecane-1,7-diyl)diacetate (CAS: 162148-48-3) be handled?

Waste containing Bis(2-methyl-2-propanyl) 2,2'-(1,4,7,10-tetraazacyclododecane-1,7-diyl)diacetate (CAS: 162148-48-3) should be collected in appropriate containers and handled according to local regulations. It is advisable to incinerate the waste or employ professional waste disposal services to ensure the safe and environmentally friendly disposal of the material.