Skip to main content


3-ETHOXYACRYLIC ACID CAS#: 6192-01-4
IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product Name3-ETHOXYACRYLIC ACIDIUPAC Name(E)-3-ethoxyprop-2-enoic acid Molecular StructureCAS Registry Number 6192-01-4MDL NumberMFCD01566841Synonyms(E)-3-Ethoxyacrylic acid695-656-33-Ethoxyacrylic acid6192-01-414674-80-73-ethoxyprop-2-enoic acid2-Propenoic acid, 3-ethoxy-, (2E)-3-Ethyoxyacrylic acid(E)-3-ethoxyprop-2-enoic acid(2E)-3-ethoxyprop-2-enoic acid3-Ethoxy-2-propenoic acid3-EthoxyacrylicacidMFCD01566841(2E)-3-Ethoxyacrylic acidNSC364201(E)-3-ethoxy-acrylic acid3-ethoxyacrylic acid, AldrichCPRBCP05609AKOS006228816CS-W019195NSC-364201AS-11132AS-57294CS-0166780EN300-125926EN300-307457Molecular FormulaC5H8O3Molecular Weight116.11InChIInChI=1S/C5H8O3/c1-2-8-4-3-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+InChI KeySYMAGJYJMLUEQE-ONEGZZNKSA-N  SMILESCCO/C=C/C(=O)O

Physical Data

AppearanceLight yellow flaky solid

Melting Point, °C Solvent (Melting Point) 107 - 109107 - 108diethyl ether106 - 108petroleum ether109H2O110.5H2O110

Boiling Point, °CPressure (Boiling Point), Torr875

Density, g·cm-3Reference Temperature, °CMeasurement Temperature, °C1.114201.24

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Frequency (NMR Spectroscopy), MHzChemical shifts1Hchloroform-d1400Chemical shifts1Hdimethylsulfoxide-d6Chemical shifts13Cdimethylsulfoxide-d6Spin-spin coupling constantsdimethylsulfoxide-d6Chemical shifts1HCDCl3Spin-spin coupling constantsCDCl3

Description (IR Spectroscopy)Solvent (IR Spectroscopy)BandsKBr

Description (UV/VIS Spectroscopy)Solvent (UV/VIS Spectroscopy)Spectrumethanol

Route of Synthesis (ROS)

Route of Synthesis (ROS) of 3-ETHOXYACRYLIC ACID CAS 6192-01-4

ConditionsYieldWith oxalyl dichloride Yield given;With oxalyl dichloride In dichloromethane at 0 - 20℃; Inert atmosphere;Experimental ProcedureExample 6Preparation process of compound 25:S1.Preparation of (E)-3-ethoxy-N-(2-hydroxy-4-methylphenyl)acrylamide (LQM-01)Weigh 9.43 g of 3-ethoxyacrylic acid (81.20 mmol, 1.0 eq)In a dry 250 mL round bottom flask, protected by a nitrogen atmosphere,Add 100 mL of anhydrous DCM; then,60.90 mL of oxalyl chloride (121.80 mmol, 1.5 eq, 2.0 M in DCM) was slowly added dropwise at 0 °C.Stirring at room temperature overnight;Evaporating the solvent under reduced pressure to give an acid chloride compound;Another 10 g of 2-amino-5-methylphenol (81.20 mmol, 1.0 eq)In a dry 500mL two-necked bottle, protected by a nitrogen atmosphere,150 mL of dry DCM was added.Add 100 mL of anhydrous DCM to the acid chloride compound,Transfer the acid chloride compound to the reaction at 0 ° C,Finally, 13.07 mL of anhydrous pyridine (162.40 mmol, 2.0 eq) was added.The reaction was stirred at room temperature overnight. After TLC tracks the reaction,Pour the reaction solution into 250 mL of ice water.It was extracted with DCM (250 mL x 2) and the obtained organic phase was combined twice.5% HCl solution (250 mL × 2),The organic phase was washed with saturated NaHCO3 (250 mL×2) and saturated NaCI (250 mL×2)Filtered, and evaporated to dryness under reduced pressure.A tan solid was obtained.After dissolution with a small amount of DCM, petroleum ether was recrystallized and allowed to stand overnight.Filtered, the filter cake is washed thoroughly with petroleum ether.Obtained 10.97 g of a yellow solid;Yield: 61.0%, yellow solid.With thionyl chloride

Safety and Hazards

Pictogram(s)SignalDangerGHS Hazard StatementsH314 (33.3%): Causes severe skin burns and eye damage H318 (33.3%): Causes serious eye damage H319 (33.3%): Causes serious eye irritation Precautionary Statement CodesP260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P337+P317, P363, P405, and P501(The corresponding statement to each P-code can be found at the GHS Classification page.)

Other Data

Shelf Life1 year

DruglikenessLipinski rules componentMolecular Weight116.117logP0.619HBA3HBD1Matching Lipinski Rules4Veber rules componentPolar Surface Area (PSA)46.53Rotatable Bond (RotB)3Matching Veber Rules2 https://www.chemwhat.com/3-ethoxyacrylic-acid-cas-6192-01-4/

Comments

Post a Comment

Popular posts from this blog

Overcoming the "Choke Points" in Semaglutide Side Chain Synthesis with Core Technologies to Enable Efficient GLP-1 Drug Manufacturing

Semaglutide, a groundbreaking product in the GLP-1 drug class, owes its extended half-life and enhanced receptor affinity largely to its unique side chain, Ste-Glu-AEEA-AEEA-OSU (CAS: 1169630-40-3) . This side chain covalently modifies the peptide backbone, significantly improving pharmacokinetics and therapeutic performance. However, its complex structure presents two critical synthetic challenges: Precise Assembly of Repetitive AEEA Units: The side chain features consecutive AEEA (aminoethoxyethoxyacetic acid) units, which require stepwise coupling via highly activated intermediates (e.g., AEEA-AEEA). Any impurities or deviations compromise downstream reaction efficiency and may trigger irreversible byproducts. Stereochemistry and Stability of Glutamic Acid (Glu): The glutamic acid component must maintain strict L-configuration, and its carboxyl groups require directional protection (e.g., OtBu) to preserve biological activity. Leveraging deep expertise in peptide chemistry a...
Post a Comment
Read more
IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data Identification Product NameTETRAKIS(ETHYLMETHYLAMINO)HAFNIUM IUPAC Nameethyl(methyl)azanide;hafnium(4+) Molecular StructureCAS Registry Number 352535-01-4MDL NumberMFCD03427130Synonyms352535-01-4Tetrakis(ethylmethylamino)hafniumEthanamine, N-methyl-, hafnium(4+) salt (4:1)ethyl(methyl)azanide;hafnium(4+)MFCD03427130SCHEMBL237323Hafnium tetrakis(ethylmethylamide)Tetrakis(ethylmethylamido)hafnium(IV)Tetrakis(ethylmethylamino)hafnium 99.999%Tetrakis(ethylmethylamido)hafnium(IV), >=99.99% trace metals basisTetrakis(ethylmethylamido)hafnium(IV), packaged for use in deposition systemsMolecular FormulaC12H32HfN4Molecular Weight410.9InChIInChI=1S/4C3H8N.Hf/c4*1-3-4-2;/h4*3H2,1-2H3;/q4*-1;+4 InChI KeyNPEOKFBCHNGLJD-UHFFFAOYSA-NIsomeric SMILESCCC.CCC.CCC.CCC. Physical Data AppearanceColorless liquid Spectra No data available Route of Synthesis (ROS) Route of Synthesis (ROS) of TETRAKIS(ETHYLMETHYLAMINO)HAF...
Post a Comment
Read more
IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data Identification Product NameBCTA-4NH2IUPAC NameMolecular StructureCAS Registry Number 2559708-42-6Synonyms4,4',4",4"'-(-3,3',6,6'-tetrayl)tetraanilineMolecular FormulaC48H36N6Molecular Weight696.86 Physical Data AppearanceYellow to white powder Spectra No data available BCTA-4NH2 CAS#：2559708-42-6 NMR Route of Synthesis (ROS) No data available Safety and Hazards No data available Other Data TransportationStore at 2-8°C away from light for long time storageStore at 2-8°C away from light for long time storageHS CodeStorageStore at 2-8°C away from light for long time storageShelf Life1 yearMarket Price Toxicity/Safety PharmacologyQuantitative Results Use PatternBCTA-4NH2 CAS#: 2559708-42-6 is an organic compound with a wide range of applications. One of its primary uses is in the field of organic electronics, where it is used as a hole-transport material in organic light-emitti...
Post a Comment
Read more