N-(2-{2-[3-[6-amino-9-(3,4-dihydroxy-5-(phosphonooxyphosphonooxyphosphonooxymethyl)tetrahydrofuran-2-yl)-9H-purin-8-ylsulfanylmethyl]-5-(3-trifluoromethyl-3H-diazirin-3-yl)benzylamino]ethyldisulfanyl}ethyl)carbamic acid tert-butyl ester

Base Information

• Chemical Name: N-(2-{2-[3-[6-amino-9-(3,4-dihydroxy-5-(phosphonooxyphosphonooxyphosphonooxymethyl)tetrahydrofuran-2-yl)-9H-purin-8-ylsulfanylmethyl]-5-(3-trifluoromethyl-3H-diazirin-3-yl)benzylamino]ethyldisulfanyl}ethyl)carbamic acid tert-butyl ester
• CAS No.: 676371-87-2
• Molecular Formula: C₂₉H₄₁F₃N₉O₁₅P₃S₃
• Molecular Weight: 1001.81
• Mol file: 676371-87-2.mol

Synonyms:

Chemical Property of N-(2-{2-[3-[6-amino-9-(3,4-dihydroxy-5-(phosphonooxyphosphonooxyphosphonooxymethyl)tetrahydrofuran-2-yl)-9H-purin-8-ylsulfanylmethyl]-5-(3-trifluoromethyl-3H-diazirin-3-yl)benzylamino]ethyldisulfanyl}ethyl)carbamic acid tert-butyl ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of N-(2-{2-[3-[6-amino-9-(3,4-dihydroxy-5-(phosphonooxyphosphonooxyphosphonooxymethyl)tetrahydrofuran-2-yl)-9H-purin-8-ylsulfanylmethyl]-5-(3-trifluoromethyl-3H-diazirin-3-yl)benzylamino]ethyldisulfanyl}ethyl)carbamic acid tert-butyl ester

There total 12 articles about N-(2-{2-[3-[6-amino-9-(3,4-dihydroxy-5-(phosphonooxyphosphonooxyphosphonooxymethyl)tetrahydrofuran-2-yl)-9H-purin-8-ylsulfanylmethyl]-5-(3-trifluoromethyl-3H-diazirin-3-yl)benzylamino]ethyldisulfanyl}ethyl)carbamic acid tert-butyl ester 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-(2-{2-[3-[6-amino-9-(3,4-dihydroxy-5-phosphonooxymethyltetrahydrofuran-2-yl)-9H-purin-8-ylsulfanylmethyl]-5-(3-trifluoromethyl-3H-diazirin-3-yl)benzylamino]ethyldisulfanyl}ethyl)carbamic acid tert-butyl ester (676371-85-0) → N-(2-{2-[3-[6-amino-9-(3,4-dihydroxy-5-(phosphonooxyphosphonooxyphosphonooxymethyl)tetrahydrofuran-2-yl)-9H-purin-8-ylsulfanylmethyl]-5-(3-trifluoromethyl-3H-diazirin-3-yl)benzylamino]ethyldisulfanyl}ethyl)carbamic acid tert-butyl ester (676371-87-2)

Guidance literature:

N-(2-{2-[3-[6-amino-9-(3,4-dihydroxy-5-phosphonooxymethyltetrahydrofuran-2-yl)-9H-purin-8-ylsulfanylmethyl]-5-(3-trifluoromethyl-3H-diazirin-3-yl)benzylamino]ethyldisulfanyl}ethyl)carbamic acid tert-butyl ester; With 1,1'-carbonyldiimidazole; In N,N-dimethyl-formamide; at 20 ℃; for 4h;

In methanol; N,N-dimethyl-formamide; at 0 ℃; for 0.0833333h;

With bis(tri-n-butylammonium) pyrophosphate; In methanol; N,N-dimethyl-formamide; at 20 ℃; for 3h; Further stages.;

DOI:10.1039/b303425a

Reference yield:

5-bromo-1,3-xylene (556-96-7) → N-(2-{2-[3-[6-amino-9-(3,4-dihydroxy-5-(phosphonooxyphosphonooxyphosphonooxymethyl)tetrahydrofuran-2-yl)-9H-purin-8-ylsulfanylmethyl]-5-(3-trifluoromethyl-3H-diazirin-3-yl)benzylamino]ethyldisulfanyl}ethyl)carbamic acid tert-butyl ester (676371-87-2)

Guidance literature:

Multi-step reaction with 10 steps

1.1: n-BuLi / diethyl ether / 2.5 h / -30 - 0 °C

1.2: 91 percent / diethyl ether / 3 h / -50 °C

2.1: 213 mg / NH₂OH / ethanol / 22 h / Heating

3.1: 88 percent / pyridine / 3 h / Heating

4.1: 97 percent / NH₃ / diethyl ether / 8 h / -60 °C

5.1: 51 percent / N-bromosuccinimide; (PhCOO)2 / methyl formate / Heating; irradiation

6.1: 64 percent / N-bromosuccinimide; (PhCOO)2 / methyl formate / Heating; irradiation

7.1: 60 percent / dimethylformamide / 4 h / 20 °C

8.1: 48 percent / Dowex-MWA-1 / dimethylformamide / 6 h / 60 °C

9.1: trimethyl phosphate; proton sponge / 0.33 h / 0 °C

9.2: POCl₃ / 2 h / 0 °C

9.3: bis(tributylammonium)pyrophosphate / 0.75 h / 0 °C

10.1: 1,1'-carbonylbis(imidazole) / dimethylformamide / 4 h / 20 °C

10.2: dimethylformamide; methanol / 0.08 h / 0 °C

10.3: 4.6 mg / bis(tributylammonium)pyrophosphate / methanol; dimethylformamide / 3 h / 20 °C

With pyridine; trimethyl phosphite; N-Bromosuccinimide; n-butyllithium; Proton Sponge; Dowex-MWA-1; ammonia; hydroxylamine; 1,1'-carbonyldiimidazole; dibenzoyl peroxide; In diethyl ether; ethanol; Methyl formate; N,N-dimethyl-formamide;

DOI:10.1039/b303425a

Reference yield:

1-(3,5-dimethylphenyl)-2,2,2-trifluoroethan-1-one (132719-10-9) → N-(2-{2-[3-[6-amino-9-(3,4-dihydroxy-5-(phosphonooxyphosphonooxyphosphonooxymethyl)tetrahydrofuran-2-yl)-9H-purin-8-ylsulfanylmethyl]-5-(3-trifluoromethyl-3H-diazirin-3-yl)benzylamino]ethyldisulfanyl}ethyl)carbamic acid tert-butyl ester (676371-87-2)

Guidance literature:

Multi-step reaction with 9 steps

1.1: 213 mg / NH₂OH / ethanol / 22 h / Heating

2.1: 88 percent / pyridine / 3 h / Heating

3.1: 97 percent / NH₃ / diethyl ether / 8 h / -60 °C

4.1: 51 percent / N-bromosuccinimide; (PhCOO)2 / methyl formate / Heating; irradiation

5.1: 64 percent / N-bromosuccinimide; (PhCOO)2 / methyl formate / Heating; irradiation

6.1: 60 percent / dimethylformamide / 4 h / 20 °C

7.1: 48 percent / Dowex-MWA-1 / dimethylformamide / 6 h / 60 °C

8.1: trimethyl phosphate; proton sponge / 0.33 h / 0 °C

8.2: POCl₃ / 2 h / 0 °C

8.3: bis(tributylammonium)pyrophosphate / 0.75 h / 0 °C

9.1: 1,1'-carbonylbis(imidazole) / dimethylformamide / 4 h / 20 °C

9.2: dimethylformamide; methanol / 0.08 h / 0 °C

9.3: 4.6 mg / bis(tributylammonium)pyrophosphate / methanol; dimethylformamide / 3 h / 20 °C

With pyridine; trimethyl phosphite; N-Bromosuccinimide; Proton Sponge; Dowex-MWA-1; ammonia; hydroxylamine; 1,1'-carbonyldiimidazole; dibenzoyl peroxide; In diethyl ether; ethanol; Methyl formate; N,N-dimethyl-formamide;

DOI:10.1039/b303425a

upstream raw materials:

N-(2-{2-[3-[6-amino-9-(3,4-dihydroxy-5-phosphonooxymethyltetrahydrofuran-2-yl)-9H-purin-8-ylsulfanylmethyl]-5-(3-trifluoromethyl-3H-diazirin-3-yl)benzylamino]ethyldisulfanyl}ethyl)carbamic acid tert-butyl ester

5-bromo-1,3-xylene

1-(3,5-dimethylphenyl)-2,2,2-trifluoroethan-1-one

N-tert-butoxycarbonyl cystamine