methyl 2-[1-(1,4,7,10-tetraazacyclodecane)-4,7,10-tris(tert-butylacetate)]-2-(4-ethynylphenyl)acetate

Base Information

Chemical Name:methyl 2-[1-(1,4,7,10-tetraazacyclodecane)-4,7,10-tris(tert-butylacetate)]-2-(4-ethynylphenyl)acetate
CAS No.:950744-25-9
Molecular Formula:C₃₇H₅₈N₄O₈
Molecular Weight:686.89
Hs Code.:

Synonyms:methyl 2-[1-(1,4,7,10-tetraazacyclodecane)-4,7,10-tris(tert-butylacetate)]-2-(4-ethynylphenyl)acetate

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Chemical Property of methyl 2-[1-(1,4,7,10-tetraazacyclodecane)-4,7,10-tris(tert-butylacetate)]-2-(4-ethynylphenyl)acetate

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Technology Process of methyl 2-[1-(1,4,7,10-tetraazacyclodecane)-4,7,10-tris(tert-butylacetate)]-2-(4-ethynylphenyl)acetate

There total 7 articles about methyl 2-[1-(1,4,7,10-tetraazacyclodecane)-4,7,10-tris(tert-butylacetate)]-2-(4-ethynylphenyl)acetate 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: 85.0%

: 950744-29-3
methyl 2-[1-(1,4,7,10-tetraazacyclododecane)]-2-(4-(2-(trimethylsilyl)ethynyl)-phenyl)acetate

: 5292-43-3
bromoacetic acid tert-butyl ester

: 950744-25-9
methyl 2-[1-(1,4,7,10-tetraazacyclodecane)-4,7,10-tris(tert-butylacetate)]-2-(4-ethynylphenyl)acetate

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 4.5h;

Reference yield:

: C₄₀H₆₆N₄O₈Si

: 950744-25-9
methyl 2-[1-(1,4,7,10-tetraazacyclodecane)-4,7,10-tris(tert-butylacetate)]-2-(4-ethynylphenyl)acetate

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃; for 0.25h;
DOI:10.1002/chem.200700231

Reference yield:

: 1798-06-7
(4-iodophenyl)acetic acid

: 950744-25-9
methyl 2-[1-(1,4,7,10-tetraazacyclodecane)-4,7,10-tris(tert-butylacetate)]-2-(4-ethynylphenyl)acetate

Guidance literature:: Multi-step reaction with 6 steps

1.1: 93 percent / thionyl chloride / 1 h / 20 °C

2.1: 93 percent / triethylamine / Pd(PPh₃)4; CuI / acetonitrile / 3.5 h / 0 - 20 °C

3.1: lithium diisopropylamide / tetrahydrofuran; heptane; ethylbenzene / 1 h / -78 °C

3.2: 47 percent / N-bromosuccinimide / tetrahydrofuran; heptane; ethylbenzene / 18 h / -78 - 20 °C

4.1: 73 percent / K₂CO₃ / dimethylformamide / 10 h / 20 °C

5.1: K₂CO₃ / dimethylformamide / 4 h / 20 °C

6.1: 508 mg / tetrabutylammonium fluoride / tetrahydrofuran / 0.25 h / 20 °C

With thionyl chloride; tetrabutyl ammonium fluoride; potassium carbonate; triethylamine; lithium diisopropyl amide; copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; n-heptane; ethylbenzene; N,N-dimethyl-formamide; acetonitrile; 2.1: Sonogashira reaction;
DOI:10.1002/chem.200700231