Butanoic acid, pentafluorophenyl ester

Base Information

• Chemical Name: Butanoic acid, pentafluorophenyl ester
• CAS No.: 172992-43-7
• Molecular Formula: C10H7F5O2
• Molecular Weight: 254.156
• DSSTox Substance ID: DTXSID20467318
• Wikidata: Q82294235

Synonyms:172992-43-7;Butanoic acid, pentafluorophenyl ester;SCHEMBL1401783;DTXSID20467318;butyric acid pentafluorophenyl ester

Chemical Property of Butanoic acid, pentafluorophenyl ester

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 254.03662027
• Heavy Atom Count: 17
• Complexity: 259

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)OC1=C(C(=C(C(=C1F)F)F)F)F

Technology Process of Butanoic acid, pentafluorophenyl ester

There total 1 articles about Butanoic acid, 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: 98.0%

2,3,4,5,6-pentafluorophenol (771-61-9) + butyryl chloride (141-75-3) → pentafluorophenyl butanoate (172992-43-7)

Guidance literature:

With pyridine; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1016/S0223-5234(02)00003-X

Reference yield: 97.0%

pentafluorophenyl butanoate (172992-43-7) + [3-(2-amino-3-phenyl-propionylamino)-propyl]-{4-[tert-butoxycarbonyl-(3-tert-butoxycarbonylamino-propyl)-amino]-butyl}-carbamic acid tert-butyl ester (839720-22-8) → (3-tert-butoxycarbonylamino-propyl)-(4-{tert-butoxycarbonyl-[3-(2-butyrylamino-3-phenyl-propionylamino)-propyl]-amino}-butyl)-carbamic acid tert-butyl ester (839720-23-9)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 3h;

DOI:10.1021/jm049906w

Reference yield: 96.0%

pentafluorophenyl butanoate (172992-43-7) + {12-[2-amino-3-(4-tert-butoxy-phenyl)-propionylamino]-dodecyl}-carbamic acid tert-butyl ester (557792-66-2) → {12-[3-(4-tert-butoxy-phenyl)-2-butyrylamino-propionylamino]-dodecyl}-carbamic acid tert-butyl ester (557792-67-3)

Guidance literature:

With triethylamine; In dichloromethane; for 20h;

DOI:10.1016/S0223-5234(02)00003-X

upstream raw materials:

2,3,4,5,6-pentafluorophenol

butyryl chloride

Downstream raw materials:

{12-[3-(4-tert-butoxy-phenyl)-2-butyrylamino-propionylamino]-dodecyl}-carbamic acid tert-butyl ester

(3-tert-butoxycarbonylamino-propyl)-[4-(tert-butoxycarbonyl-{3-[3-(4-tert-butoxy-phenyl)-2-butyrylamino-propionylamino]-propyl}-amino)-butyl]-carbamic acid tert-butyl ester

(3-tert-butoxycarbonylamino-propyl)-(4-{tert-butoxycarbonyl-[3-(2-butyrylamino-2-phenyl-acetylamino)-propyl]-amino}-butyl)-carbamic acid tert-butyl ester

(3-tert-butoxycarbonylamino-propyl)-(4-{tert-butoxycarbonyl-[3-(2-butyrylamino-3-phenyl-propionylamino)-propyl]-amino}-butyl)-carbamic acid tert-butyl ester

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