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ChemicalBook >> CAS DataBase List >>2,2-DIMETHYL-4-OXO-3,8,11,14-TETRAOXA-5-AZAHEXADECAN-16-OIC ACID

2,2-DIMETHYL-4-OXO-3,8,11,14-TETRAOXA-5-AZAHEXADECAN-16-OIC ACID

CAS No.
462100-06-7
Chemical Name:
2,2-DIMETHYL-4-OXO-3,8,11,14-TETRAOXA-5-AZAHEXADECAN-16-OIC ACID
Synonyms
BocNH-PEG3-CH2COOH;Boc-PEG3- CH2COOH;NHBoc-PEG3-CH2COOH;Boc-N-amido-PEG3-CH2CO2H;t-boc-N-amido-PEG3-acetic acid;t-Boc-N-amido-PEG3-CH2CO2H >=95%;Boc-PEG3-CH2COOH [452100-06-7];Boc-11-amino-3,6,9-trioxaundecanoic acid;2-[2-[2-[2-(Boc-amino)ethoxy]ethoxy]ethoxy]acetic Acid;2,2-Dimethyl-4-oxo-3,8,11,14-tetraoxa-5-azahexadecan-16-
CBNumber:
CB13059752
Molecular Formula:
C13H25NO7
Molecular Weight:
307.34
MDL Number:
MFCD22376773
MOL File:
462100-06-7.mol
MSDS File:
SDS
Last updated:2026-05-27 23:28:45
Product description Number Pack Size Price
t-Boc-N-amido-PEG3-CH2CO2H ≥95% 901575 50MG $76.3
Boc-NH-PEG3 Acid ≥95% 30536 25mg $41
Boc-NH-PEG3 Acid ≥95% 30536 50mg $72
Boc-NH-PEG3 Acid ≥95% 30536 100mg $134
Boc-NH-PEG3 Acid ≥95% 30536 250mg $312
More product size

2,2-DIMETHYL-4-OXO-3,8,11,14-TETRAOXA-5-AZAHEXADECAN-16-OIC ACID Properties

Boiling point 460.1±35.0 °C(Predicted)
Density 1.141±0.06 g/cm3(Predicted)
storage temp. -20°C
solubility DMF: 5 mg/ml,DMSO: 1 mg/ml,Ethanol: 30 mg/ml
form A neat oil
pka 3.39±0.10(Predicted)
color Colorless to light yellow
InChI InChI=1S/C13H25NO7/c1-13(2,3)21-12(17)14-4-5-18-6-7-19-8-9-20-10-11(15)16/h4-10H2,1-3H3,(H,14,17)(H,15,16)
InChIKey IFSMYFLQPDFUOI-UHFFFAOYSA-N
SMILES C(OC(C)(C)C)(=O)NCCOCCOCCOCC(O)=O
CAS DataBase Reference 462100-06-7
UNSPSC Code 51171641
NACRES NA.22

SAFETY

Risk and Safety Statements

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
WGK Germany  WGK 3
HS Code  2924190090
Storage Class 10 - Combustible liquids

2,2-DIMETHYL-4-OXO-3,8,11,14-TETRAOXA-5-AZAHEXADECAN-16-OIC ACID price More Price(74)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 901575 t-Boc-N-amido-PEG3-CH2CO2H ≥95% 462100-06-7 50MG $76.3 2026-04-30 Buy
Cayman Chemical 30536 Boc-NH-PEG3 Acid ≥95% 462100-06-7 25mg $41 2026-04-30 Buy
Cayman Chemical 30536 Boc-NH-PEG3 Acid ≥95% 462100-06-7 50mg $72 2026-04-30 Buy
Cayman Chemical 30536 Boc-NH-PEG3 Acid ≥95% 462100-06-7 100mg $134 2026-04-30 Buy
Cayman Chemical 30536 Boc-NH-PEG3 Acid ≥95% 462100-06-7 250mg $312 2026-04-30 Buy
Product number Packaging Price Buy
901575 50MG $76.3 Buy
30536 25mg $41 Buy
30536 50mg $72 Buy
30536 100mg $134 Buy
30536 250mg $312 Buy

2,2-DIMETHYL-4-OXO-3,8,11,14-TETRAOXA-5-AZAHEXADECAN-16-OIC ACID Chemical Properties,Uses,Production

Description

t-Boc-N-amido-PEG3-CH2CO2H is a PEG linker containing a terminal carboxylic acid and Boc-protected amino group. The hydrophilic PEG spacer increases solubility in aqueous media. The terminal carboxylic acid can react with primary amine groups in the presence of activators (e.g. EDC, or HATU) to form a stable amide bond. The Boc group can be deprotected under mild acidic conditions to form the free amine.

Uses

This is a crosslinker with a t-Boc protected amine on one end and a carboxyl group on the other end. The compound contains three PEG units to help improve solubility.

reaction suitability

reagent type: linker

Synthesis

Bromoacetic acid

79-08-3

(2-[2-(2-HYDROXY-ETHOXY)-ETHOXY]-ETHYL)-CARBAMIC ACID TERT-BUTYL ESTER

139115-92-7

2,2-DIMETHYL-4-OXO-3,8,11,14-TETRAOXA-5-AZAHEXADECAN-16-OIC ACID

462100-06-7

To a 1000 mL three-neck flask was added 34.8 g of tert-butyl (2-(2-(2-hydroxyethoxy)ethoxy)ethyl)carbamate (1.0 eq.), 150 mL of toluene, and 150 mL of THF, 58.2 g of bromoacetic acid (3 eq.), and stirred to mix. The reaction mixture was heated to 4550°C followed by the slow addition of 33.5 g of sodium hydroxide (6 eq.). The reaction was continued at room temperature overnight. The progress of the reaction was monitored by TLC. After completion of the reaction, the solvent was removed by evaporation. The residue was separated by extraction with water and ethyl acetate. The aqueous phase was adjusted to pH 3 with hydrochloric acid and subsequently extracted with dichloromethane. The dichloromethane layers were combined, dried over anhydrous sodium sulfate, filtered and concentrated to give 18 g of 5,8,11-trioxa-2-azatridecanedioic acid 1-tert-butyl ester (BP103a05) as an oil.

IC 50

PEGs; Alkyl/ether

References

[1] Inorganica Chimica Acta, 2011, vol. 365, # 1, p. 38 - 48
[2] Patent: EP3321279, 2018, A1. Location in patent: Paragraph 0066

2,2-DIMETHYL-4-OXO-3,8,11,14-TETRAOXA-5-AZAHEXADECAN-16-OIC ACID Preparation Products And Raw materials

Global( 130)Suppliers
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ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD
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View Lastest Price from 2,2-DIMETHYL-4-OXO-3,8,11,14-TETRAOXA-5-AZAHEXADECAN-16-OIC ACID manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
Boc-NH-PEG3-CH2COOH pictures 2026-04-22 Boc-NH-PEG3-CH2COOH
462100-06-7
$29.00 ≥98% 10g TargetMol Chemicals Inc.
Boc-NH-PEG3-CH2COOH pictures 2026-04-22 Boc-NH-PEG3-CH2COOH
462100-06-7
$29.00 ≥98% 10g TargetMol Chemicals Inc.
Boc-NH-PEG3-CH2COOH pictures 2026-04-17 Boc-NH-PEG3-CH2COOH
462100-06-7
$2.00-6.00 1kg 99% 100kg ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD

2,2-DIMETHYL-4-OXO-3,8,11,14-TETRAOXA-5-AZAHEXADECAN-16-OIC ACID Spectrum

5,8,11-Trioxa-2-azatridecanedioic acid 1-(1,1-dimethylethyl) ester Boc-N-amido-PEG3-CH2CO2H Boc-PEG3- CH2COOH Boc-11-amino-3,6,9-trioxaundecanoic acid t-boc-N-amido-PEG3-acetic acid 2,2-DIMETHYL-4-OXO-3,8,11,14-TETRAOXA-5-AZAHEXADECAN-16-OIC ACID 2-[2-[2-[2-(Boc-amino)ethoxy]ethoxy]ethoxy]acetic Acid 52,2-Dimethyl-4-oxo-3,8,11,14-tetraoxa-5-azahexadecan-16-oic acid t-Boc-N-amido-PEG3-CH2CO2H >=95% NHBoc-PEG3-CH2COOH BocNH-PEG3-CH2COOH/5,8,11-Trioxa-2-azatridecanedioic acid, 1-(1,1-dimethylethyl) ester 2,2-Dimethyl-4-oxo-3,8,11,14-tetraoxa-5-azahexadecan-16- t-Boc-N-amido-PEG3-CH2CO2H Boc-PEG3-CH2COOH [452100-06-7] BocNH-PEG3-CH2COOH 462100-06-7 C13H25NO7 peg
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