N-(Isobutoxymethyl)acrylamide

Base Information

• Chemical Name: N-(Isobutoxymethyl)acrylamide
• CAS No.: 16669-59-3
• Deprecated CAS: 115254-63-2,68258-83-3,70700-19-5,96538-85-1,70700-19-5,96538-85-1
• Molecular Formula: C8H15 N O2
• Molecular Weight: 157.213
• Hs Code.: 2924199090
• European Community (EC) Number: 240-715-7
• UNII: 2X6C59HDPE
• DSSTox Substance ID: DTXSID2044848
• Nikkaji Number: J66.960A
• Wikidata: Q27255745
• ChEMBL ID: CHEMBL3187434
• Mol file: 16669-59-3.mol

Synonyms:N-(Isobutoxymethyl)acrylamide;16669-59-3;Synocure 3165;N-Isobutoxymethylacrylamide;N-(2-methylpropoxymethyl)prop-2-enamide;2-Propenamide, N-[(2-methylpropoxy)methyl]-;2-Propenamide, N-((2-methylpropoxy)methyl)-;EINECS 240-715-7;UNII-2X6C59HDPE;N-((2-Methylpropoxy)methyl)acrylamide;2X6C59HDPE;ACRYLAMIDE, N-(ISOBUTOXYMETHYL)-;N-((2-Methylpropoxy)methyl)-2-propenamide;DTXSID2044848;N-[(2-Methylpropoxy)methyl]acrylamide;N-(ISO-BUTOXYMETHYL)ACRYLAMIDE;CYLINK IBMA;WASMER IBM;SCHEMBL167298;n-(iso-butoxymethyl) acrylamide;CHEMBL3187434;DTXCID0024848;Tox21_301403;MFCD00043107;AKOS024386603;NCGC00256060-01;CAS-16669-59-3;FT-0693651;I1124;N-(Isobutoxymethyl)acrylamide, technical grade;W-110441;Q27255745

Chemical Property of N-(Isobutoxymethyl)acrylamide

Chemical Property:

• Vapor Pressure: 0.00562mmHg at 25°C
• Refractive Index: n20/D 1.461(lit.)
• Boiling Point: 108 °C(lit.)
• PKA: 13.29±0.46(Predicted)
• Flash Point: 175 °F
• PSA: 38.33000
• Density: 0.97 g/mL at 25 °C(lit.)
• LogP: 1.30960
• Water Solubility.: 13.45g/L at 25℃
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 157.110278721
• Heavy Atom Count: 11
• Complexity: 132

Purity/Quality:

99.9% ^*data from raw suppliers

N-(Isobutoxymethyl)acrylamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,T
• Statements: 21/22-62-48/20/21/22-43-36-46-45
• Safety Statements: 23-24/25-45-36/37-26-53

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)COCNC(=O)C=C

Technology Process of N-(Isobutoxymethyl)acrylamide

There total 2 articles about N-(Isobutoxymethyl)acrylamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

C-isobutoxy-methylamine + acryloyl chloride (814-68-6,25189-84-8) → N-(isobutoxymethyl)acrylamide (16669-59-3)

Guidance literature:

In dichloromethane;

DOI:10.1021/jo050410b

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2-methyl-propan-1-ol (78-83-1) + 2-propenamide (79-06-1,12624-24-7,25038-45-3,27754-57-0,33338-03-3,39387-77-4,68247-81-4,9082-06-8,79079-15-5) → N-(isobutoxymethyl)acrylamide (16669-59-3)

Guidance literature:

Multistep reaction; (i) aq. NaOH, (ii) H₂SO₄, benzene-1,4-diol;

DOI:10.1021/jo01047a044

Reference yield:

C9H9ClN2O2 + N-(isobutoxymethyl)acrylamide (16669-59-3) → 3-(4-acetylaminophenyl)-4,5-dihydroisoxazole-5-carboxylic acid isobutoxymethylamide

Guidance literature:

With triethylamine; at 20 ℃;

DOI:10.1021/jo050410b

upstream raw materials:

formaldehyd

2-methyl-propan-1-ol

2-propenamide

acryloyl chloride

Refernces