Skip to main content
Tert-Butyl Acrylamide (n-TBAA) CAS#: 107-58-4
IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product NameTert-Butyl AcrylamideIUPAC NameN-tert-butylprop-2-enamide  Molecular StructureCAS Registry Number 107-58-4EINECS Number203-505-6MDL NumberMFCD00026271Beilstein Registry Number1742331SynonymsN-TERT-BUTYLACRYLAMIDE107-58-4tert-ButylacrylamideN-(tert-Butyl)acrylamide2-Propenamide, N-(1,1-dimethylethyl)-N-tert-butylprop-2-enamideAcrylamide, N-tert-butyl-N-t-ButylacrylamideNSC 5287EINECS 203-505-6UNII-XJ13FSH48KN-(1,1-Dimethylethyl)-2-propenamideBRN 1742331XJ13FSH48KAI3-25002DTXSID1040114NSC-5287EC 203-505-64-04-00-00664 (Beilstein Handbook Reference)n-tert-butyl acrylamideT-Bu acrylamideMFCD00026271n-tert-butylacrylamidN-t-butyl acrylamideN-tert.-butylacrylamideN-t-Butyl-2-propenamideN- tertiary ButylacrylamideSCHEMBL26705N-tert-butylacrylamide (TBA)N-tert-Butylacrylamide, 97%CHEMBL3184503DTXCID90201142-Propenamide,1-dimethylethyl)-NSC5287N-TERT-BUTYL-2-PROPENAMIDEAMY40862Tox21_301092AKOS005174133CS-W013480NCGC00248285-01NCGC00254992-01AS-17781CAS-107-58-4B0703FT-0675966EN300-64881D70371Q27293858Z440633548InChI=1/C7H13NO/c1-5-6(9)8-7(2,3)4/h5H,1H2,2-4H3,(H,8,9Molecular FormulaC7H13NOMolecular Weight127.184InChIInChI=1S/C7H13NO/c1-5-6(9)8-7(2,3)4/h5H,1H2,2-4H3,(H,8,9)InChI KeyXFHJDMUEHUHAJW-UHFFFAOYSA-N  Isomeric SMILESCC(C)(C)NC(=O)C=C  

Patent InformationPatent IDTitlePublication DateUS10737259Salt tolerant anion exchange medium2020JP2017/186303MANUFACTURING METHOD OF β-SUBSTITUTED PROPIONIC ACID AMIDE AND N-SUBSTITUTED (METH)ACRYLAMIDE2017 JP2015/209419METHOD OF PRODUCING N-SUBSTITUTED (METH)ACRYLAMIDE2015US2012/231072THERMO-RESPONSIVE HYDROGEL COMPOSITIONS2012US2008/286221Anionic Ethyl Methacrylate Copolymers and Use Thereof2008

Physical Data

AppearanceWhite powder

Melting Point, °C Solvent (Melting Point) 130 - 131hexane124 - 125125 - 127123 - 124129128 - 131water

Density, g·cm-31

Description (Association (MCS))Solvent (Association (MCS))Temperature (Association (MCS)), °CPartner (Association (MCS))Further physical properties of the complex24 - 44N-Isopropylacrylamide, N,N-Dimethylacrylamide

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Temperature (NMR Spectroscopy), °C Frequency (NMR Spectroscopy), MHzChemical shifts, Spectrum1Hchloroform-d1Chemical shifts, Spectrum13Cchloroform-d1Chemical shifts, Spectrum1HCD3ODChemical shifts1Hchloroform-d1500Chemical shifts1Hchloroform-d124.84600

Description (IR Spectroscopy)Solvent (IR Spectroscopy)ATR (attenuated total reflectance), BandsBands, SpectrumBands, Spectrumpotassium bromideBandsnujol

Description (UV/VIS Spectroscopy)Solvent (UV/VIS Spectroscopy)Comment (UV/VIS Spectroscopy)UV/VISSpectrumSpectrum240 - 270 nm

Route of Synthesis (ROS)

Route of Synthesis (ROS) of Tert-Butyl Acrylamide (n-TBAA) CAS 107-58-4

ConditionsYieldWith BF3 immobilized on β-cyclodextrine functionalized silica coated CoFe2O4 magnetic nanoparticles In neat (no solvent) at 20℃; for 0.5h; Ritter Amidation;95%With (2,3,4,5,6-pentafluorophenyl)ammonium triflate; water at 90℃; for 3h; Ritter reaction; Neat (no solvent); chemoselective reaction;92%With sulfuric acid In acetic acid at 20℃; for 2.5h; Ritter reaction; Inert atmosphere; Enzymatic reaction;85%Experimental Procedure General procedure: tert-butyl acetate (2 mmol), nitrile (2.2 mmol), and H2O (2 mmol) were mixed with PFPAT (10 mol %) and heated to 90 °C, until complete disappearance of the starting nitriles (as monitored by TLC). After cooling to room temperature, the organic phase was washed with aqueous 1 M NaOH solution (1 ml). The separated organic phase was evaporated under reduced pressure to give a crude residue, which was purified by distillation or by column chromatography (hexane-EtOAc). The products were characterized by comparison of their physical and spectral data with those of authentic samples. Spectroscopic data for selected examples:

Safety and Hazards

Pictogram(s)SignalWarningGHS Hazard StatementsH302 (100%): Harmful if swallowed H319 (67.37%): Causes serious eye irritation Precautionary Statement CodesP264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501(The corresponding statement to each P-code can be found at the GHS Classification page.)

Other Data

TransportationUnder the room temperature and away from lightUnder the room temperature and away from lightHS CodeStorageUnder the room temperature and away from lightShelf Life1 yearMarket Price

DruglikenessLipinski rules componentMolecular Weight127.186logP1.302HBA2HBD1Matching Lipinski Rules4Veber rules componentPolar Surface Area (PSA)29.1Rotatable Bond (RotB)3Matching Veber Rules2

Toxicity/Safety PharmacologyQuantitative Results

Use PatternTert-Butyl Acrylamide (n-TBAA) CAS#: 107-58-4 is white powder. It is a monomer, is used for the production of many polymers and is an intermediate in organic chemical synthesis. (1) Industrial use (2) Paper industries (3) Personal care (4) Thickener. And N-tert-butylacrylamide is an important monomer that can be used in polymerization reactions to prepare high molecular weight polymers.
https://www.chemwhat.com/tert-butyl-acrylamide-n-tbaa-cas-107-58-4/

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 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

Watson Chem: Pioneering Advanced Semiconductor Materials for a Sustainable Future

In today’s rapidly advancing technological landscape, the innovation of materials science is driving progress across various high-tech sectors. As a R&D platform of Watson International, Watson Chem has positioned itself at the forefront of semiconductor materials development, becoming a trusted partner for leading global research institutions, energy companies, and high-tech firms. By focusing on extreme purity and stability, Watson Chem specializes in creating cutting-edge semiconductor materials that underpin the breakthrough technologies of tomorrow. Core Competency: Extreme Purity and Stability Watson Chem’s semiconductor materials encompass a range of ultra-pure elements, oxides, sulfides, tellurides, selenides, antimonides, and other semiconductor compounds, available in purity levels ranging from 3N to 7N and beyond. These materials meet the stringent requirements of the most advanced research fields, providing the solid foundation needed for breakthrough innovations. Tru...
Post a Comment
Read more