Benzoic acid, 4-[(nitrooxy)methyl]-, pentafluorophenyl ester

Base Information

• Chemical Name: Benzoic acid, 4-[(nitrooxy)methyl]-, pentafluorophenyl ester
• CAS No.: 874446-96-5
• Molecular Formula: C14H6F5NO5
• Molecular Weight: 363.197
• DSSTox Substance ID: DTXSID10470215
• Wikidata: Q82298217

Synonyms:Benzoic acid, 4-[(nitrooxy)methyl]-, pentafluorophenyl ester;874446-96-5;SCHEMBL3536594;DTXSID10470215

Chemical Property of Benzoic acid, 4-[(nitrooxy)methyl]-, pentafluorophenyl ester

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 363.01661310
• Heavy Atom Count: 25
• Complexity: 469

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CO[N+](=O)[O-])C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F

Technology Process of Benzoic acid, 4-[(nitrooxy)methyl]-, pentafluorophenyl ester

There total 1 articles about Benzoic acid, 4-[(nitrooxy)methyl]-, pentafluorophenyl 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: 88.0%

→ [4-(nitrooxy)methyl]benzoic acid pentafluorophenyl ester (874446-96-5)

Guidance literature:

Reference yield: 47.0%

[4-(nitrooxy)methyl]benzoic acid pentafluorophenyl ester (874446-96-5) + lorsartan (114798-26-4) → 2-butyl-4-chloro-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-5-[(4-(nitrooxymethyl)phenyl)carbonyloxy]methyl-1H-imidazole (838876-28-1)

Guidance literature:

With dmap; scandium tris(trifluoromethanesulfonate); In dichloromethane; at -5 - 20 ℃; for 16h;

Reference yield: 47.0%

[4-(nitrooxy)methyl]benzoic acid pentafluorophenyl ester (874446-96-5) + lorsartan (114798-26-4) → 2-butyl-4-chloro-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-5-[[(4-(nitrooxy)methyl)phenyl]carbonyloxy]methyl-1H-imidazole

Guidance literature:

With dmap; scandium tris(trifluoromethanesulfonate); In dichloromethane; at -5 - 20 ℃; for 16h;

Downstream raw materials:

tert-butyl (2R,4R,5R)-2-[2,2-dimethyl-3-(4-nitro-oxymethylbenzoylamino)-3-oxopropyl]-4-[4-(2-methoxyethoxymethyl)phenyl]-5-[4-(3-methoxy-propyl)-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl-methoxy]piperidine-1-carboxylate

2-butyl-4-chloro-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-5-[(4-(nitrooxymethyl)phenyl)carbonyloxy]methyl-1H-imidazole

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