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| Pentafluorophenol Chemical Properties |
| Melting point | 34-36 °C (lit.) | | Boiling point | 143 °C (lit.) | | density | 1.757 | | refractive index | 1.4270 | | Fp | 162 °F | | storage temp. | Store below +30°C. | | solubility | Chloroform (Slightly), Methanol (Slightly) | | form | Low Melting Crystalline Solid | | pka | 5.50±0.33(Predicted) | | Specific Gravity | 1.757 | | color | White to almost white | | Water Solubility | soluble | | BRN | 1912584 | | Stability: | Stable. Incompatible with strong oxidizing agents, bases, acid chlorides, acid anhydrides. | | InChIKey | XBNGYFFABRKICK-UHFFFAOYSA-N | | CAS DataBase Reference | 771-61-9(CAS DataBase Reference) | | NIST Chemistry Reference | Phenol, pentafluoro-(771-61-9) | | EPA Substance Registry System | Pentafluorophenol (771-61-9) |
| Pentafluorophenol Usage And Synthesis |
| Description | Pentafluorophenol can be used for the preparation of penta-fluorophenyl esters for peptide synthesis. It is used in the preparation of pentafluorophenyl esters for peptide synthesis and vulcanized polymers. It is also used for peptide coupling and heterocyclic acid derivatives. It is involved in the preparation of pentafluorophenyl formate which acts as a formulating agent for amines and amino acids. It can be used for synthesizing novel reagents which can achieve highly diastereoselective acetal cleavage.
| | Reference | 3. Ishihara, Kazuaki, N. Hanaki, and H. Yamamoto. "Highly diastereoselective acetal cleavages using novel reagents prepared from organoaluminum and pentafluorophenol" Cheminform 25.9(2010):no-no.
| | Chemical Properties | White solid | | Uses | Used for the preparation of pentafluorophenyl esters for peptide synthesis | | Uses | Pentafluorophenol is used in the preparation of pentafluorophenyl esters for peptide synthesis and vulcanized polymers. It is also used for peptide coupling and heterocyclic acid derivatives. It is involved in the preparation of pentafluorophenyl formate which acts as a formulating agent for amines and amino acids. | | Uses | For the preparation of pentafluorophenyl esters for peptide synthesis. | | Synthesis Reference(s) | The Journal of Organic Chemistry, 54, p. 5502, 1989 DOI: 10.1021/jo00284a022 | | Safety Profile | scu-rat LD50:322 mg/kg IZSBAI 3,91,65 | | Purification Methods | It is a hygroscopic low melting solid not freely soluble in H2O. Purify it by distillation, preferably in a vacuum [Forbes et al. J Chem Soc 2019 1959, IR and pKa: Birchall & Haszeldine J Chem Soc 13 1959]. IRofafilmhas max 3600 (OH) and 1575 (fluoroaromatic breathing) cm-1 . The benzoyl derivative has m 74-75o, 3,4-dinitrobenzoyl derivative has m 107o, the tosylate has m 64-65o (from EtOH) and the K salt crystallises from Me2CO, m 242o(dec), with 1H2O-salt the m is 248o(dec) and the 2H2O-salt has m 245o(dec). [Beilstein 6 IV 782.] |
| Pentafluorophenol Preparation Products And Raw materials |
| Raw materials | Ethanol, 2-[(2,4-dinitrophenyl)thio]--->1,3-Dioxane-5-carboxylic acid, 5-ethyl-2-oxo-, 2,3,4,5,6-pentafluorophenyl ester-->2,2-Bis(hydroxymethyl)butyric acid-->2,3,4,5,6-PENTAFLUOROANISOLE-->MAC-->Chloropentafluorobenzene-->BIS(PENTAFLUOROPHENYL)CARBONATE-->2,3,4,5,6-PENTAFLUOROBENZENEBORONIC ACID-->2,3,4,5,6-Pentafluoroaniline-->TETRAFLUOROBENZENE-1,2-DIOL-->Pentafluorophenetole-->Ethanol | | Preparation Products | 5-METHYL-5-PROPARGYLOXYCARBONYL-1,3-DIOXANE-2-ONE-->2,3,5,6-Tetrafluorophenol-->FMOC-GLY-OPFP |
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