2,2-Dimethyl-4-oxo-3,8,11-trioxa-5-azatridecan-13-oic acid

Basic Information

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CAS Number

108466-89-3

Molecular Formula

C11H21NO6

Molecular Weight

263.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

630.4°C at 760 mmHg

SMILES

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CC(C)(C)OC(=O)NCCOCCOCC(=O)O

InChI

InChI=1S/C11H21NO6/c1-11(2,3)18-10(15)12-4-5-16-6-7-17-8-9(13)14/h4-8H2,1-3H3,(H,12,15)(H,13,14)

InChIKey

OMBVJVWVXRNDSL-UHFFFAOYSA-N

LogP

0.6289000000000002

Topological Polar Surface Area

94.09000000000002 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

261

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

2,2-Dimethyl-4-oxo-3,8,11-trioxa-5-azatridecan-13-oic acid
8-tert-Butyloxycarbonylamino-3,6-dioxaoctanoic Acid
2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]acetic acid
(2-(2-(tert-butyloxycarbonyl)aminoethoxy)ethoxy)acetic acid
2-(2-(2-tert-Butoxycarbonylaminoethoxy)ethoxy)acetic acid
2,2-
2-[2-(N-tert-butoxycarbonyl)aminoethoxy]ethoxyacetic acid
3,6-dioxa-8-(N-tert-butoxycarbonyl)aminooctanoic acid
8-(tert-butyloxycarbonyl-amino)-3,6-dioxaoctanoic acid
AC1MBSFM
AK132986
AmbotzBAA1466
N-(tert-butyloxycarbonyl)-8-amino-3,6-dioxaoctanoic acid
T-BOC-NH-AMIDO-PEG2-CH2CO2H
BocNH-PEG2-CH2COOH
Boc-N-amido-PEG2-CH2CO2H
t-Boc-N-amido-PEG2-CH2CO2H
t-boc-N-amido-PEG2-acetic acid
3,8,11-Trioxa-5-azatridecan-13-oic acid, 2,2-diMethyl-4-oxo-
Boc-NH-PEG2-CH2COOH
2-[2-[2-(Boc-amino)ethoxy]ethoxy]acetic Acid
2-[2-[2-[(tert-Butyloxycarbonyl)amino]ethoxy]ethoxy]acetic acid
2-[2-(2-{[(tert-butoxy)carbonyl]amino}ethoxy)ethoxy]acetic acid
AMY3348
SY103711
[2-(N-boc-2-aminoethoxy)ethoxy]acetic acid
ZB0902
OMBVJVWVXRNDSL-UHFFFAOYSA-N
F52572
t-Boc-N-amido-PEG-CH2COOH, MW 1,000
BP-26002

MDL Number

MFCD17019374

FAQ

What are the physical and chemical properties of 2,2-Dimethyl-4-oxo-3,8,11-trioxa-5-azatridecan-13-oic acid (CAS: 108466-89-3)?

2,2-Dimethyl-4-oxo-3,8,11-trioxa-5-azatridecan-13-oic acid is a crystalline white solid with a molecular weight of approximately 288.34 g/mol. It has moderate solubility in organic solvents such as ethanol and acetone, and is practically insoluble in water. The compound is reactive towards nucleophiles and can undergo condensation reactions. It is also susceptible to hydrolysis under basic conditions.

How is 2,2-Dimethyl-4-oxo-3,8,11-trioxa-5-azatridecan-13-oic acid (CAS: 108466-89-3) typically synthesized?

2,2-Dimethyl-4-oxo-3,8,11-trioxa-5-azatridecan-13-oic acid is typically synthesized through a multi-step process involving the condensation of 2,2-dimethyl-5-aminopentanal with 3,6-dioxaoctane. The reaction is usually catalyzed by a Lewis acid such as aluminum chloride, with a yield of around 85%. The synthetic route involves careful control of reaction conditions to ensure high selectivity and purity.

What industries use 2,2-Dimethyl-4-oxo-3,8,11-trioxa-5-azatridecan-13-oic acid (CAS: 108466-89-3)?

2,2-Dimethyl-4-oxo-3,8,11-trioxa-5-azatridecan-13-oic acid finds applications in the pharmaceutical industry for the synthesis of certain drug intermediates. It is also used in the polymer industry as a monomer for the development of new materials with specific properties. Additionally, it plays a role in the production of sensors and semiconductors, where its unique chemical structure can enhance performance characteristics.

What precautions should be taken when handling 2,2-Dimethyl-4-oxo-3,8,11-trioxa-5-azatridecan-13-oic acid (CAS: 108466-89-3)?

When handling 2,2-Dimethyl-4-oxo-3,8,11-trioxa-5-azatridecan-13-oic acid, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a dry, well-ventilated area away from heat and sources of ignition. Spills should be handled with care, and the area should be flushed with water. Always consult the Safety Data Sheet (SDS) for detailed handling and safety information.