Fmoc-L-4-Carbamoylphe CAS#: 204716-17-6; 凯望编码 (ChemWhat Code): 295653

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

英文名Fmoc-L-4-Carbamoylphe
IUPAC Name(2S)-3-(4-carbamoylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
分子结构Structure of Fmoc-L-4-Carbamoylphe CAS 204716-17-6
CAS编号 204716-17-6
EINECS NumberNo data available
MDL NumberMFCD01317021
Beilstein Registry NumberNo data available
别名Fmoc-L-4-carbamoyl phenylalanine, 3-(4-carbamoyl-phenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-propionic acid
分子式C25H22N2O5
分子量430.46
InChIInChI=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 KeyMUNGLNMRFZUOTD-QFIPXVFZSA-N
Canonical SMILESc1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](Cc4ccc(cc4)C(=O)N)C(=O)O
Patent Information
No data available

Physical Data

AppearanceWhite to off-white powder
SolubilityNo data available
Flash PointNo data available
Refractive indexNo data available
SensitivityNo data available

Spectra

Fmoc-L-4-Carbamoylphe CAS#: 204716-17-6 NMRHNMR of Fmoc-L-4-Carbamoylphe CAS 204716-17-6
Fmoc-L-4-Carbamoylphe CAS#: 204716-17-6 MSMS of Fmoc-L-4-Carbamoylphe CAS 204716-17-6
MS ES+ of Fmoc-L-4-Carbamoylphe CAS 204716-17-6
Fmoc-L-4-Carbamoylphe CAS#: 204716-17-6 HPLCHPLC of Fmoc-L-4-Carbamoylphe CAS 204716-17-6
Fmoc-L-4-Carbamoylphe CAS#: 204716-17-6 ee HPLCee HPLC of Fmoc-L-4-Carbamoylphe CAS 204716-17-6
ee HPLC 2 of Fmoc-L-4-Carbamoylphe CAS 204716-17-6

Route of Synthesis (ROS)

Route of Synthesis (ROS) of Fmoc-L-4-Carbamoylphe CAS 204716-17-6
Route of Synthesis (ROS) of Fmoc-L-4-Carbamoylphe CAS 204716-17-6
ConditionsYield
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 StatementsNot Classified
SDS DownloadEnglish 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

TransportationNONH for all modes of transport
Under the room temperature and away from light
HS CodeNo data available
StorageUnder the room temperature and away from light
Shelf Life2 years
Market PriceUSD 20.5/g
Druglikeness
Lipinski rules component
分子量430.46
logP3.397
HBA7
HBD3
Matching Lipinski Rules4
Veber rules component
Polar Surface Area (PSA)118.72
Rotatable Bond (RotB)9
Matching Veber Rules2
Use Pattern
Fmoc-L-4-Carbamoylphe CAS 204716-17-6 used to synthesize peptides.

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