Isobutyramide

Base Information

• Chemical Name: Isobutyramide
• CAS No.: 563-83-7
• Molecular Formula: C4H9 N O
• Molecular Weight: 87.1216
• Hs Code.: 2924199090
• European Community (EC) Number: 270-312-1,209-265-9
• NSC Number: 8423
• UNII: 82UOE7B38Z
• DSSTox Substance ID: DTXSID1060340
• Nikkaji Number: J2.672G
• Wikipedia: Isobutyramide
• Wikidata: Q10859786
• Metabolomics Workbench ID: 131992
• ChEMBL ID: CHEMBL352219
• Mol file: 563-83-7.mol

Synonyms:isobutyramide

Chemical Property of Isobutyramide

Chemical Property:

• Appearance/Colour: white needle-like crystalline powder
• Melting Point: 127-130 ºC
• Boiling Point: 216-220 ºC
• PKA: 16.60±0.50(Predicted)
• Flash Point: 87.7 °C
• PSA: 43.09000
• Density: 1.013
• LogP: 0.82800
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 87.068413911
• Heavy Atom Count: 6
• Complexity: 58.6

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Safety Statements: S24/25:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: UVCB,Solvents -> Amides (
• Canonical SMILES: CC(C)C(=O)N

Technology Process of Isobutyramide

There total 54 articles about Isobutyramide 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: 100.0%

isobutyric acid-(N'-phenyl-hydrazide) (5461-50-7) → ISOPROPYLAMIDE (563-83-7) + aniline (62-53-3)

Guidance literature:

With hydrogen; palladium; In ethanol; acetic acid; under 2585.7 Torr;

Reference yield: 99.6%

isopropylamine (75-31-0) → ISOPROPYLAMIDE (563-83-7)

Guidance literature:

In carbon monoxide;

Reference yield: 99.0%

isobutyryl chloride (79-30-1) → ISOPROPYLAMIDE (563-83-7)

Guidance literature:

With ammonium hydroxide; In tetrahydrofuran; at 20 ℃; for 0.5h;

upstream raw materials:

Isobutane

Methyl isobutyrate

N-(2,2,2-tribromo-1-hydroxy-ethyl)-isobutyramide

ethyl isobutyrimidate hydrochloride

Downstream raw materials:

isobutyryl-pivaloyl-amine

Isobutyronitrile

water

2-methyl-1H-pyrrolo[2,3-b]pyridine

Refernces

• 1、 Iwakura,Y. et al.. "-". . p. 3363 - 3373. Retrieved 1967.
• 2、 Babón, Juan C.,Esteruelas, Miguel A.,López, Ana M.,O?ate, Enrique. "Hydration of Aliphatic Nitriles Catalyzed by an Osmium Polyhydride: Evidence for an Alternative Mechanism". . p. 7284 - 7296. Retrieved 2021/05/29.
• 3、 Sun, Zhao,Yan, Li,Ji, Guangjun,Wang, Guoqing,Ma, Lei,Jiang, Miao,Li, Cunyao,Ding, Yunjie. "Efficient heterogeneous hydroaminocarbonylation of olefins with ammonium chloride as amino source". . . Retrieved 2021/02/26.