114873-52-8

• 

• Basic information

  1. Product Name: 1,4,7-Tris(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane
  2. Synonyms: 1,4,7-Tris(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane;1,4,7,10-Tetraazacyclododecane-1,4,7-tris(t-ethyl acetate)DO3A-t-Ethyl ester;Triethyl 2,2',2''-(1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate;1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 1,4,7-triethyl ester
  3. CAS NO:114873-52-8
  4. Molecular Formula: C₂₀H₃₈N₄O₆
  5. Molecular Weight: 430.55
  6. EINECS: N/A
  7. Product Categories: N/A
  8. Mol File: 114873-52-8.mol
  9. Article Data: 6

• Chemical Properties

  1. Melting Point: N/A
  2. Boiling Point: 514.8 °C at 760 mmHg
  3. Flash Point: 265.1 °C
  4. Appearance: /
  5. Density: 1.064
  6. Vapor Pressure: 0mmHg at 25°C
  7. Refractive Index: 1.466
  8. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
  9. Solubility: N/A
  10. PKA: 9.59±0.20(Predicted)
  11. CAS DataBase Reference: 1,4,7-Tris(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane(CAS DataBase Reference)
  12. NIST Chemistry Reference: 1,4,7-Tris(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane(114873-52-8)
  13. EPA Substance Registry System: 1,4,7-Tris(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane(114873-52-8)

• Safety Data

  1. Hazard Codes: N/A
  2. Statements: N/A
  3. Safety Statements: N/A
  4. WGK Germany:
  5. RTECS:
  6. HazardClass: N/A
  7. PackingGroup: N/A
  8. Hazardous Substances Data: 114873-52-8(Hazardous Substances Data)

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114873-52-8 Suppliers

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• TRIETHYL 2,2',2''-(1,4,7,10-TETRAAZACYCLODODECANE-1,4,7-TRIYL)TRIACETATE

  Cas No: 114873-52-8

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• Dayang Chem (Hangzhou) Co.,Ltd.
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• 1,4,7-Tris(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane

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• Hebei Nengqian Chemical Import and Export Co., LTD
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• Triethyl 2,2",2""-(1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate

  Cas No: 114873-52-8

• USD $ 1008.0-1008.0 / Gram

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• 1,4,7-Tris(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane

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• Factory Supply 1,4,7-Tris(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane

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• Ality Chemical Corporation
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• 1,4,7,10-Tetraazacyclododecane-1,4,7-triaceticacid, 1,4,7-triethyl ester

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• 1,4,7-Tris(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane

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• 1,4,7-Tris(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane

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• 1,4,7-Tris(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane

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• Hangzhou Dingyan Chem Co., Ltd
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• Acmec 1,4,7-Tris(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane 5g

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114873-52-8 Usage

General Description

1,4,7-Tris(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane is a chemical compound that belongs to the family of tetraazacyclododecane derivatives. It is a macrocyclic polyamine and is commonly used as a chelating agent in coordination chemistry. 1,4,7-Tris(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane has a high affinity for metal ions, particularly transition metal ions such as copper, nickel, and zinc. Its structure is characterized by a 12-membered ring with three ethoxycarbonylmethyl groups attached to the nitrogen atoms at positions 1, 4, and 7, and four nitrogen atoms at positions 1, 4, 7, and 10. 1,4,7-Tris(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane has potential applications in various fields including medicine, catalysis, and environmental science due to its ability to selectively bind metal ions. However, it is important to handle this compound with caution as it may pose hazards to human health and the environment if not properly managed.

Check Digit Verification of cas no

The CAS Registry Mumber 114873-52-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,4,8,7 and 3 respectively; the second part has 2 digits, 5 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 114873-52:
(8*1)+(7*1)+(6*4)+(5*8)+(4*7)+(3*3)+(2*5)+(1*2)=128
128 % 10 = 8
So 114873-52-8 is a valid CAS Registry Number.

InChI:InChI=1/C20H38N4O6/c1-4-28-18(25)15-22-9-7-21-8-10-23(16-19(26)29-5-2)12-14-24(13-11-22)17-20(27)30-6-3/h21H,4-17H2,1-3H3

114873-52-8 Well-known Company Product Price

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• Alfa Aesar

• (H26863)  1,4,7-Tris(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane   

• 114873-52-8

• 250mg

• 1723.0CNY

• Detail

114873-52-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name	1,4,7-Tris(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane

1.2 Other means of identification

Product number	-
Other names	ethyl 2-[4,7-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate

1.3 Recommended use of the chemical and restrictions on use

Identified uses	For industry use only.
Uses advised against	no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number	-
Service hours	Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:114873-52-8 SDS

114873-52-8Upstream product

• 105-36-2 ethyl bromoacetate 
• 294-90-6 1,4,7,10-tetraazacyclododecan 

114873-52-8Downstream Products

• 885511-60-4 heptaethyl ester 10-[bis(phosphono)methyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic 
• 64-17-5 ethanol 
• 1361124-79-9 C₃₂H₅₁N₅O₁₀ 
• 1361124-83-5 C₃₁H₄₉N₅O₁₀ 
• 170216-03-2 1-{3-[N-(3,5-Dioxa-4-phenyl-cyclohexyl)-mesylamino]-2-hydroxypropyl}-4,7,10-tris-(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane 
• 170215-89-1 1-[3-(N-2-Phenylethyl-mesylamino)-2-hydroxypropyl]-4,7,10-tris-(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane 
• 170215-87-9 1-[3-(N-Benzyl-mesylamino)-2-hydroxypropyl]-4,7,10-tris-(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane 
• 170215-93-7 1-{3-[N-(2-Benzyloxy-ethyl)-mesylamino]-2-hydroxypropyl}-4,7,10-tris-(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane 
• 170215-91-5 1-[3-(N-[2-(4-Methoxyphenyl)-ethyl]-mesylamino)-2-hydroxypropyl]-4,7,10-tris-(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane 
• 149440-35-7 1,4,7-tris(carboxymethyl)-10-<(4-aminophenyl)methyl>-1,4,7,10-tetraazacyclodecane 

114873-52-8Relevant articles and documents

Synthesis of macrocyclic bifunctional chelating agents: 1,4,7-tris(carboxymethyl)-10-(2-aminoethyl)-1,4,7,10-tetraazacyclododecane and 1,4,8-tris(carboxymethyl)-11-(2-aminoethyl)-1,4,8,11-tetraazacyclotetradecane

Mishra,Chatal

, p. 336 - 339 (2001)

The convenient, synthetically useful bifunctional chelating agents, 1,4,7-tris(carboxymethyl)-10-(2-aminoethyl)-1,4,7,10-tetraazacyclododecane and 1,4,8-tris(carboxymethyl)-11-(2-aminoethyl)-1,4,8,11- tetraazacyclotetradecane, were obtained by reaction of ethyl bromoacetate with 1,4,7,10-tetraazacyclododecane and 1,4,8,11-tetraazacyclotetradecane, followed by reaction with N-(2-bromoethyl)phthalimide. This method is proven to be more efficient to prepare bifunctional chelating agents with aliphatic side arms in high yields, above 53%.

Using the Ugi multicomponent condensation reaction to prepare families of chromophore appended azamacrocycles and their complexes

Main, Marcus,Snaith, John S.,Meloni, Marco M.,Jauregui, Maitey,Sykes, Daniel,Faulkner, Stephen,Kenwright, Alan M.

supporting information; experimental part, p. 5212 - 5214 (2009/03/12)

The Ugi reaction offers an effective method for preparing chromophore-appended DOTA-monoamide ligands, which can readily be elaborated to their lanthanide complexes. The Royal Society of Chemistry.

Synthesis of conjugated diacetylene, metal-chelating monomers for polymerizable monolayer assemblies.

Roy,Mallik

, p. 1877 - 1879 (2007/10/03)

[see structure]. Self-assembled monolayers (SAMs) of thiols on gold have been used for numerous applications. For protein targeting applications, one successful strategy is to use a metal-chelating SAM. It has also been demonstrated that polymerized SAMs

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