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

Product Name
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
Boc-PEG3- CH2COOH;NHBoc-PEG3-CH2COOH;BocNH-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
Formula Weight
307.34
MOL File
462100-06-7.mol
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2,2-DIMETHYL-4-OXO-3,8,11,14-TETRAOXA-5-AZAHEXADECAN-16-OIC ACID Property

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
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Safety

HS Code 
2924190090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
901575
Product name
t-Boc-N-amido-PEG3-CH2CO2H
Purity
≥95%
Packaging
50MG
Price
$65.87
Updated
2025/07/31
Cayman Chemical
Product number
30536
Product name
Boc-NH-PEG3-CH2COOH
Packaging
50mg
Price
$65
Updated
2024/03/01
Cayman Chemical
Product number
30536
Product name
Boc-NH-PEG3-CH2COOH
Packaging
100mg
Price
$121
Updated
2024/03/01
Cayman Chemical
Product number
30536
Product name
Boc-NH-PEG3-CH2COOH
Packaging
25mg
Price
$37
Updated
2024/03/01
Cayman Chemical
Product number
30536
Product name
Boc-NH-PEG3-CH2COOH
Packaging
250mg
Price
$283
Updated
2024/03/01
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2,2-DIMETHYL-4-OXO-3,8,11,14-TETRAOXA-5-AZAHEXADECAN-16-OIC ACID Chemical Properties,Usage,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

79-08-3

139115-92-7

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 45?50°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

Raw materials

Preparation Products

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

Yaopu(Shanghai) Pharmaceutical Technology Co., Ltd
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021-50929289 18616309303
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sales@ypptech.com.cn
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China
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Shanghai Huici Pharmaceutical Technology Co., LTD
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133-31922809 19372841038
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lixing@pharmahuici.com
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View Lastest Price from 2,2-DIMETHYL-4-OXO-3,8,11,14-TETRAOXA-5-AZAHEXADECAN-16-OIC ACID manufacturers

LAURENT
Product
BocNH-PEG3-CH2COOH 462100-06-7
Price
US $23.28/g
Min. Order
10g
Purity
98%
Supply Ability
300kg
Release date
2025-11-20
XIAMEN SINOPEG BIOTECH CO., LTD.
Product
2,2-dimethyl-4-oxo-3,8,11,14-tetraoxa-5-azahexadecan-16-oic acid 462100-06-7
Price
US $0.00-0.00/g
Min. Order
1g
Purity
98%
Supply Ability
1g/bottle, 10g/bottle, 100g/bottle
Release date
2025-09-12
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD
Product
Boc-NH-PEG3-CH2COOH 462100-06-7
Price
US $2.00-6.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
100kg
Release date
2025-08-06

462100-06-7, 2,2-DIMETHYL-4-OXO-3,8,11,14-TETRAOXA-5-AZAHEXADECAN-16-OIC ACIDRelated Search:


  • 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
  • BocNH-PEG3-CH2COOH
  • 2-[2-[2-[2-(Boc-amino)ethoxy]ethoxy]ethoxy]acetic Acid
  • 2,2-DIMETHYL-4-OXO-3,8,11,14-TETRAOXA-5-AZAHEXADECAN-16-OIC 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-<i>N</i>-amido-PEG<sub>3</sub>-CH<sub>2</sub>CO<sub>2</sub>H
  • Boc-PEG3-CH2COOH [452100-06-7]
  • 462100-06-7
  • C13H25NO7
  • peg