[2-[2-(Fmoc-amino)ethoxy]ethoxy]acetic acid CAS#: 166108-71-0; ChemWhat Code: 93432
Identification
| Product Name | [2-[2-(Fmoc-amino)ethoxy]ethoxy]acetic acid |
| IUPAC Name | 2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]acetic acid |
| Molecular Structure |  |
| CAS Registry Number | 166108-71-0 |
| Synonyms | 166108-71-0 [2-[2-(Fmoc-amino)ethoxy]ethoxy]acetic acid Fmoc-NH-PEG2-CH2COOH 1-(9H-FLUOREN-9-YL)-3-OXO-2,7,10-TRIOXA-4-AZADODECAN-12-OIC ACID Fmoc-8-amino-3,6-dioxaoctanoic acid 8-(Fmoc-amino)-3,6-dioxaoctanoic acid {2-[2-(Fmoc-amino)ethoxy]ethoxy}acetic acid 2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]acetic Acid FMOC-AEEAC-OH MFCD01321015 FMOC-AMINO-3,6 DIOXAOCTANOIC ACID 3,6,11-TRIOXA-9-AZADODECANOIC ACID, 12-(9H-FLUOREN-9-YL)-10-OXO- 8-(9-FLUORENYLMETHYLOXYCARBONYL-AMINO)-3,6-DIOXAOCTANOIC ACID Fmoc-Adoa-OH;8-(Fmoc-amino)-3,6-dioxa-octanoic acid;{2-[2-(Fmoc-amino)-ethoxy]-ethoxy}-acetic acid;Fmoc-8-amino-3,6-dioxa-octanoic acid [2-(2-(Fmoc-amino)ethoxy)ethoxy]acetic acid Fmoc-mini-PEG XQPYRJIMPDBGRW-UHFFFAOYSA-N Fmoc-AEEA-OH FMOC-ADOA 2,7,10-Trioxa-4-azadodecan-12-oic acid, 1-(9H-fluoren-9-yl)-3-oxo- 8-[(9H-Fluoren-9-ylmethoxy)carbonylamino]-3,6-dioxa-n-octanoic Acid [2-[2-[(Fmoc-amino)ethoxy]ethoxy]acetic Acid Fmoc-NH-PEG2-CH2COOH; SCHEMBL259018 DTXSID50373231 BCP11185 TD8147 AKOS015840985 AB09039 CS-W007713 HY-W007713 AC-26584 AM808139 AS-17641 BP-22044 SY017426 8-(Fmoc-amino)-3,6-dioxa-n-octanoic Acid F0719 FT-0645528 2-[2-[2-(Fmoc-amino)ethoxy]ethoxy]acetic acid EN300-1556421 Fmoc-NH-PEG2-CH2COOHFmoc-NH-PEG2-CH2COOH A810696 8-(9-Fluorenylmethoxycarbonylamino)-3,6-dioxaoctanoic acid {2-[2-(Fmoc-amino)ethoxy]ethoxy}acetic acid, >=95.0% (HPLC) (2-(2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy)ethoxy)acetic acid [2-[2-[(9H-Fluoren-9-ylmethoxy)carbonylamino]ethoxy]ethoxy]acetic Acid 2-[2-(2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}ethoxy)ethoxy]acetic acid 2-{2-[2-({[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}AMINO)ETHOXY]ETHOXY}ACETIC ACID 2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]acetic acid;1-(9H-Fluoren-9-yl)-3-oxo-2,7,10-trioxa-4-azadodecan-12-oic acid |
| Molecular Formula | C21H23NO6 |
| Molecular Weight | 385.4 |
| InChI | InChI=1S/C21H23NO6/c23-20(24)14-27-12-11-26-10-9-22-21(25)28-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19H,9-14H2,(H,22,25)(H,23,24) |
| InChI Key | XQPYRJIMPDBGRW-UHFFFAOYSA-N |
| Isomeric SMILES | C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCC(=O)O |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| CN114213283 | Method for preparing [2-[1-(Fmoc-amino) ethyoxyl] ethyoxyl] acetic acid by one-pot method | 2022 |
Physical Data
| Appearance | White powder |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts | 1H | tetradeuteriomethanol | 300 |
| 1H | tetradeuteriomethanol | 300 | |
| Chemical shifts | 13C | tetradeuteriomethanol |
Route of Synthesis (ROS)
![Route of Synthesis (ROS) of [2-[2-(Fmoc-amino)ethoxy]ethoxy]acetic acid CAS# 166108-71-0](https://www.chemwhat.com/wp-content/uploads/2017/12/Route-of-Synthesis-ROS-of-2-2-Fmoc-aminoethoxyethoxyacetic-acid-CAS-166108-71-0.png)
Route of Synthesis (ROS) of [2-[2-(Fmoc-amino)ethoxy]ethoxy]acetic acid CAS# 166108-71-0
| Conditions | Yield |
| With anhydrous sodium carbonate In tetrahydrofuran at 15 – 20℃; for 3h; Experimental Procedure Compound A3 (0.2g, 1.23mmol), 2mL of tetrahydrofuran, 2mL of water and sodium carbonate (0.2g, 1.84mmol) were added to the reaction kettle, the reaction temperature was maintained at 15-20°C, and fluorene methoxycarbonyl succinimide was added. (abbreviated as Fmoc-Osu, 0.4 g, 1.23 mmol) to carry out acylation reaction, after 3 hours of reaction, spot plate to confirm the end point of the reaction, then add ethyl acetate to the reaction solution, adjust pH=2-3 with hydrochloric acid, stand for fractionation The organic phase was washed three times with saturated brine, dried over sodium sulfate, and concentrated to obtain Fmoc-AEEA (0.43 g, yield 91%, purity 99.8%).The purity of Fmoc-AEEA synthesized in this example is 99.8%, and the total yield is 88%×91%×93%×91%=67.78%. | 91% |
| With Sodium hydrogenocarbonate In ethanol; lithium hydroxide monohydrate for 6h; pH=9; Experimental Procedure Add sodium bicarbonate solid to adjust the product pH of step d to be about 9, then add 140mL of water, 140ml of ethanol, add 42.5g of Fmoc-osu in batches, react 6h after TLC monitoring, after the completion of the reaction; concentrate most of the ethanol under reduced pressure , the pH was adjusted to 2 with hydrochloric acid, crystal seeds were added for crystallization, the solid was precipitated and the crystallization continued for 2 h, filtered and dried to obtain 41.6 g of a white solid, namely [2-[1-(Fmoc-amino)ethoxy]ethoxy base]acetic acid.Result detection: the obtained [2-[1-(Fmoc-amino)ethoxy]ethoxy]acetic acid has a purity of 99.6% and a yield of 63.2%. | 63.2% |
| With potassium carbonate In lithium hydroxide monohydrate for 16h; |
Safety and Hazards
| Pictogram(s) |  |
| Signal | Warning |
| GHS Hazard Statements | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
| Precautionary Statement Codes | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | At room temperature away from light |
| Storage | At room temperature away from light |
| Shelf Life | 1 year |
| Market Price |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 385.417 |
| logP | 2.159 |
| HBA | 7 |
| HBD | 2 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 94.09 |
| Rotatable Bond (RotB) | 12 |
| Matching Veber Rules | 1 |
| Use Pattern |
| [2-[2-(Fmoc-amino)ethoxy]ethoxy]acetic acid CAS#: 166108-71-0 is an intermediate of API Sermaglutide. |
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