ChemicalBook--->CAS DataBase List--->563-83-7

563-83-7

563-83-7 Structure

563-83-7 Structure
IdentificationMore
[Name]

Isobutyramide
[CAS]

563-83-7
[Synonyms]

2-METHYLPROPIONAMIDE
IBA
ISOBUTYRAMIDE
2-Mefhylpropionamide
2-methyl-propanamid
2-Methylpropanamide
2-Methyl-propanamide
C-isopropylformamide
isobutyrimidicacid
isopropylformamide
iso-Butyleneamine
Isobuytramide
isobutyric amide
VX 366
[EINECS(EC#)]

209-265-9
[Molecular Formula]

C4H9NO
[MDL Number]

MFCD00008019
[Molecular Weight]

87.12
[MOL File]

563-83-7.mol
Chemical PropertiesBack Directory
[Appearance]

white needle-like crystalline powder
[Melting point ]

127-131 °C (lit.)
[Boiling point ]

216-220 °C (lit.)
[density ]

1.013 g/mL at 25 °C(lit.)
[refractive index ]

1.4345 (estimate)
[Fp ]

216-220°C
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

Chloroform (Sparingly), DMSO (Slightly)
[form ]

Solid
[pka]

16.60±0.50(Predicted)
[color ]

White to Off-White
[Water Solubility ]

Soluble in water.
[InChI]

1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)
[InChIKey]

WFKAJVHLWXSISD-UHFFFAOYSA-N
[SMILES]

CC(C)C(N)=O
[LogP]

0.003 (est)
[CAS DataBase Reference]

563-83-7(CAS DataBase Reference)
[NIST Chemistry Reference]

Propanamide, 2-methyl-(563-83-7)
[EPA Substance Registry System]

563-83-7(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[RTECS ]

TX1475000
[TSCA ]

Yes
[HS Code ]

29241990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Isobutyric acid-->Isobutyryl chloride
[Preparation Products]

Isobutyronitrile-->4-(3-Isopropyl-1,2,4-oxadiazol-5-yl)piperidine-->2-Isopropyl-4,5-dimethyloxazole-->1-(4-(4-Chloro-3-methylphenoxy)phenyl)ethanone-->4-Chloromethyl-2-isopropyloxazole
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Methylpropionamide(563-83-7).msds
Hazard InformationBack Directory
[Chemical Properties]

white needle-like crystalline powder
[Uses]

Isobutyramide could be a useful compound for technical applications as a component in environmentally-friendly automobile welding anti-spatter liquid.
[Application]

Isobutyramide was used for chemical grafting of human serum albumin during the synthesis of sequentialy assembled protein capsules.
Isobutyramide plays an important role in chemical grafting of human serum albumin during the synthesis of sequentially assembled protein capsules. It is used in pharmaceutical manufacturing and in cellular differentiation. It finds application in the transcription of human gamma-globin gene and murine embryonic epsilon(y)-globin gene. Further, it is in the treatment of beta-thalassemia and sickle cell disease.
[Definition]

ChEBI: Isobutyramide is a carboximidic acid.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 69, p. 2058, 1947 DOI: 10.1021/ja01200a070
[Biochem/physiol Actions]

Isobutyramide activates transcription of human gamma-globin gene and murine embryonic epsilon(y)-globin gene. It is useful in the treatment of β-thalassemia and sickle cell disease.
[Purification Methods]

Crystallise the amide from acetone, *benzene, CHCl3, EtOAc or water, then dry it under vacuum over P2O5 or 99% at H2SO4, or at 70o/3hours in a desiccator. Sublime it under vacuum. [Kent & McAlvain Org Synth Coll Vol III 491 1955, Beilstein 2 H 293, 2 I 129, 2 II 262, 2 III 654, 2 IV 852.]
Spectrum DetailBack Directory
[Spectrum Detail]

Isobutyramide(563-83-7)MS
Isobutyramide(563-83-7)1HNMR
Isobutyramide(563-83-7)13CNMR
Isobutyramide(563-83-7)IR1
Isobutyramide(563-83-7)IR2
Isobutyramide(563-83-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Isobutyramide, 99%(563-83-7)
[Alfa Aesar]

Isobutyramide, 99%(563-83-7)
[Sigma Aldrich]

563-83-7(sigmaaldrich)
[TCI AMERICA]

Isobutyramide,>98.0%(T)(563-83-7)
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