Introduction：Basic information about Isobutyramide CAS 563-83-7, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Isobutyramide Basic information
| Product Name: | Isobutyramide |
| Synonyms: | 4-(diethylamino)-2-phenylbutanenitrile;isobutyric amide;Isobutyramide,2-Methylpropionamide;VX 366;Isobutyramide,99%;Butyl aMide;Isobutyramide 99%;2-methylpropanamide isobutyramide |
| CAS: | 563-83-7 |
| MF: | C4H9NO |
| MW: | 87.12 |
| EINECS: | 209-265-9 |
| Product Categories: | Amides;Building Blocks;C2 to C7;Carbonyl Compounds;Chemical Synthesis;Organic Building Blocks;bc0001 |
| Mol File: | 563-83-7.mol |
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Isobutyramide Chemical Properties
| 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) |
| pka | 16.60±0.50(Predicted) |
| form | Solid |
| 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 | Propanamide, 2-methyl- (563-83-7) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 22 |
| Safety Statements | 24/25 |
| WGK Germany | 3 |
| RTECS | TX1475000 |
| TSCA | TSCA listed |
| HS Code | 29241990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral |
Isobutyramide Usage And Synthesis
| 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. |
| Uses | 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. |
| 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. |
| 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.] |
Isobutyramide Preparation Products And Raw materials
| 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 |
