DOTA derivative

Base Information

• Chemical Name: DOTA derivative
• CAS No.: 153777-70-9
• Molecular Formula: C₄₃H₅₀N₄O₈S₄
• Molecular Weight: 879.156
• Mol file: 153777-70-9.mol

Synonyms:2-Benzyl-1,4,7,10-tetrakis-(toluene-4-sulfonyl)-1,4,7,10-tetraaza-cyclododecane

Chemical Property of DOTA derivative

Chemical Property:

• Boiling Point: 959.5±75.0 °C(Predicted)
• PKA: -7.77±0.40(Predicted)
• Density: 1.312±0.06 g/cm3(Predicted)

Purity/Quality:

>98% ^*data from raw suppliers

DOTAderivative 98+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of DOTA derivative

There total 5 articles about DOTA derivative 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:

N,N-bis(tosyloxyethyl)-p-toluenesulfonamide (16695-22-0) + C32H37N3O6S3 (153777-58-3) → 2-Benzyl-1,4,7,10-tetrakis-(toluene-4-sulfonyl)-1,4,7,10-tetraaza-cyclododecane (153777-70-9)

Guidance literature:

With Cs₂O₃; In N,N-dimethyl-formamide; at 80 ℃; Yield given;

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

Reference yield:

2-Amino-N-(2-amino-ethyl)-3-phenyl-propionamide (153777-62-9) → 2-Benzyl-1,4,7,10-tetrakis-(toluene-4-sulfonyl)-1,4,7,10-tetraaza-cyclododecane (153777-70-9)

Guidance literature:

Multi-step reaction with 4 steps

1: 76 percent / Et₃N

2: 1.) BH₃-SMe₂; 2.) HCl / 1.) THF; 2.) MeOH

3: 90 percent / Et₃N / tetrahydrofuran

4: Cs₂O₃ / dimethylformamide / 80 °C

With hydrogenchloride; Cs₂O₃; dimethylsulfide borane complex; triethylamine; In tetrahydrofuran; N,N-dimethyl-formamide;

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

Reference yield:

C25H31N3O4S2 (153777-67-4) → 2-Benzyl-1,4,7,10-tetrakis-(toluene-4-sulfonyl)-1,4,7,10-tetraaza-cyclododecane (153777-70-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / Et₃N / tetrahydrofuran

2: Cs₂O₃ / dimethylformamide / 80 °C

With Cs₂O₃; triethylamine; In tetrahydrofuran; N,N-dimethyl-formamide;

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

upstream raw materials:

N,N-bis(tosyloxyethyl)-p-toluenesulfonamide

C₃₂H₃₇N₃O₆S₃

2-Amino-N-(2-amino-ethyl)-3-phenyl-propionamide

C₂₅H₃₁N₃O₄S₂