1,4,7,10-Tetraazacyclododecane, 2-[(4-nitrophenyl)methyl]-

Base Information

• Chemical Name: 1,4,7,10-Tetraazacyclododecane, 2-[(4-nitrophenyl)methyl]-
• CAS No.: 135825-00-2
• Molecular Formula: C15H25N5O2
• Molecular Weight: 307.396
• Mol file: 135825-00-2.mol

Synonyms:2-(p-nitrobenzyl)-1,4,7,10-tetraazacyclododecane;2-p-nitrobenzyl-1,4,7,10-tetraazacyclododecane;

Chemical Property of 1,4,7,10-Tetraazacyclododecane, 2-[(4-nitrophenyl)methyl]-

Chemical Property:

• PSA: 93.94000
• LogP: 1.71630

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1,4,7,10-Tetraazacyclododecane, 2-[(4-nitrophenyl)methyl]-

There total 8 articles about 1,4,7,10-Tetraazacyclododecane, 2-[(4-nitrophenyl)methyl]- 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: 91.0%

2-(4-Nitro-benzyl)-1,4,7,10-tetrakis-(toluene-4-sulfonyl)-1,4,7,10-tetraaza-cyclododecane (148436-62-8) → 2-(p-nitrobenzyl)-1,4,7,10-tetraazacyclododecane (135825-00-2)

Guidance literature:

With sulfuric acid; phenol; at 100 ℃; for 48h;

DOI:10.1021/ja00226a063

Reference yield: 64.0%

2-Benzyl-1,4,7,10-tetraaza-cyclododecane; hydrochloride → 2-(p-nitrobenzyl)-1,4,7,10-tetraazacyclododecane (135825-00-2) + 2-(2-Nitro-benzyl)-1,4,7,10-tetraaza-cyclododecane

Guidance literature:

With sulfuric acid; nitric acid; Yields of byproduct given;

DOI:10.1016/S0040-4039(00)73873-1

Reference yield: 61.0%

3-(4-Nitrobenzyl)-2,6-dioxo-1,4,7,10-tetraazacyclododecane (136169-86-3) → 2-(p-nitrobenzyl)-1,4,7,10-tetraazacyclododecane (135825-00-2)

Guidance literature:

With borane; In tetrahydrofuran; for 24h; Heating;

DOI:10.1021/jo00076a062

upstream raw materials:

2-(4-Nitro-benzyl)-1,4,7,10-tetrakis-(toluene-4-sulfonyl)-1,4,7,10-tetraaza-cyclododecane

3-(4-Nitrobenzyl)-2,6-dioxo-1,4,7,10-tetraazacyclododecane

(+)-Methyl 2-amino-3-(4-nitrophenyl)propionate hydrochloride

methyl 2-[N-(methoxycarbonylmethyl)amino]-3-(4-nitrophenyl)propionate

Downstream raw materials:

2-(p-nitrobenzyl)-1,4,7,10-tetraazacyclododecane-N,N',N'',N'''-tetraacetic acid

C₂₇H₅₃N₅O₁₄P₄

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