1,4,8,11-tetraazacyclotetradecane-N,N',N'',N'''-tetraacetic acid

Base Information

• Chemical Name: 1,4,8,11-tetraazacyclotetradecane-N,N',N'',N'''-tetraacetic acid
• CAS No.: 60239-22-7
• Molecular Formula: C18H32N4O8
• Molecular Weight: 432.474
• DSSTox Substance ID: DTXSID001171101
• Nikkaji Number: J351.296G
• Wikidata: Q27130575
• Metabolomics Workbench ID: 61406
• Mol file: 60239-22-7.mol

Synonyms:60239-22-7;1,4,8,11-tetraazacyclotetradecane-N,N',N'',N'''-tetraacetic acid;1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetraacetic acid;CHEBI:61030;2-[4,8,11-tris(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid;2,2',2'',2'''-(1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetrayl)tetraacetic acid;Epitope ID:146096;SCHEMBL454245;DTXSID001171101;AKOS016035740;Q27130575;1,4,8,11-Tetraazacyclotetradecane 1,4,8,11-tetraacetic acid;1,4,8,11-tetraazacyclotetradecane N,N',N",N'"-tetraacetic acid;1,4,8,11-tetraazacyclotetradecane-N,N',N",N'"-tetraacetic acid

Chemical Property of 1,4,8,11-tetraazacyclotetradecane-N,N',N'',N'''-tetraacetic acid

Chemical Property:

• Boiling Point: 700.1°Cat760mmHg
• Flash Point: 377.2°C
• PSA: 162.16000
• Density: 1.266g/cm³
• LogP: -1.92180
• XLogP3: -9.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 432.22201399
• Heavy Atom Count: 30
• Complexity: 491

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN(CCCN(CCN(C1)CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O

Technology Process of 1,4,8,11-tetraazacyclotetradecane-N,N',N'',N'''-tetraacetic acid

There total 1 articles about 1,4,8,11-tetraazacyclotetradecane-N,N',N'',N'''-tetraacetic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

Bi(3+)*H(N(CH2COO)C2H4)2(N(CH2COO)C3H6)2(3-)=BiH(N(CH2COO)C2H4)2(N(CH2COO)C3H6)2 → bismuth (7440-69-9) + 1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetraacetic acid tetrahydrochloride (60239-22-7)

Guidance literature:

In perchloric acid; instantaneous decompn. of Bi compd. in aq. HClO4;

DOI:10.1039/c39890000145

Reference yield: 47.0%

1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetraacetic acid tetrahydrochloride (60239-22-7) + 1-O-(4,4'-dimethoxytrityl)-6-amino-1-hexanol (178261-43-3) → C126H156N8O16

Guidance literature:

1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetraacetic acid tetrahydrochloride; With N-ethyl-N,N-diisopropylamine; In water; N,N-dimethyl-formamide;

With benzotriazol-1-ol; dicyclohexyl-carbodiimide; In N,N-dimethyl-formamide; at 0 ℃; for 3h;

1-O-(4,4'-dimethoxytrityl)-6-amino-1-hexanol; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 16h;

DOI:10.1021/ja037424o

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