Fmoc-L-4-Carbamoylphe CAS#: 204716-17-6; ChemWhat Code: 295653
Identification
| Product Name | Fmoc-L-4-Carbamoylphe |
| IUPAC Name | (2S)-3-(4-carbamoylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid |
| Molecular Structure |  |
| CAS Registry Number | 204716-17-6 |
| EINECS Number | No data available |
| MDL Number | MFCD01317021 |
| Beilstein Registry Number | No data available |
| Synonyms | Fmoc-L-4-carbamoyl phenylalanine, 3-(4-carbamoyl-phenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-propionic acid |
| Molecular Formula | C25H22N2O5 |
| Molecular Weight | 430.46 |
| InChI | InChI=1S/C25H22N2O5/c26-23(28)16-11-9-15(10-12-16)13-22(24(29)30)27-25(31)32-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H2,26,28)(H,27,31)(H,29,30)/t22-/m0/s1 |
| InChI Key | MUNGLNMRFZUOTD-QFIPXVFZSA-N |
| Canonical SMILES | c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](Cc4ccc(cc4)C(=O)N)C(=O)O |
| Patent Information |
| No data available |
Physical Data
| Appearance | White to off-white powder |
| Solubility | No data available |
| Flash Point | No data available |
| Refractive index | No data available |
| Sensitivity | No data available |
Spectra
| Fmoc-L-4-Carbamoylphe CAS#: 204716-17-6 MS |   |
| Fmoc-L-4-Carbamoylphe CAS#: 204716-17-6 HPLC |  |
| Fmoc-L-4-Carbamoylphe CAS#: 204716-17-6 ee HPLC |   |
Route of Synthesis (ROS)
| Conditions | Yield |
| With benzotriazol-1-ol; O-(1H-benzotriazol-1-yl)-N,N,N’,N’-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0 – 25℃; for 12h; Experimental Procedure 6.1.6. general procedure for preparation of compounds 10a-10f General procedure: HOBt (71 mg, 0.52 mmol) and HBTU (199 mg, 0.52 mmol) wasadded to a stirred solution of phenylalanine derivatives 9a-9c(0.52 mmol) in DMF (6 mL) at rt. After the mixture was cooled to0 C, amines 8a-8d (0.7 mmol) and DIEA (1 mmol) were introduced,respectively. The whole reaction mixture was stirred at rtfor 12 h, the solvents and volatiles were removed under thereduced pressure. The solid residue was crystallized from dichloromethaneto give the desired products as white solid. | 93% |
Safety and Hazards
| GHS Hazard Statements | Not Classified |
| SDS Download | English Version |
| For more detailed information, please visit ECHA C&L website |
| Source: European Chemicals Agency (ECHA) License Note: Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: “Source: European Chemicals Agency, http://echa.europa.eu/”. Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page. License URL: https://echa.europa.eu/web/guest/legal-notice Record Name: (1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate URL: https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/213446 Description: The information provided here is aggregated from the “Notified classification and labelling” from ECHA’s C&L Inventory. Read more: https://echa.europa.eu/information-on-chemicals/cl-inventory-database |
Other Data
| Transportation | NONH for all modes of transport |
| Under the room temperature and away from light | |
| HS Code | No data available |
| Storage | Under the room temperature and away from light |
| Shelf Life | 2 years |
| Market Price | USD 20.5/g |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 430.46 |
| logP | 3.397 |
| HBA | 7 |
| HBD | 3 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 118.72 |
| Rotatable Bond (RotB) | 9 |
| Matching Veber Rules | 2 |
| Use Pattern |
| Fmoc-L-4-Carbamoylphe CAS 204716-17-6 used to synthesize peptides. |
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