isobutylamide structural formula

isobutylamide structural formula

Structural formula

Business number 05T3
Molecular formula C4H9NO
Molecular weight 87.12




Pharmaceutical R&D

Numbering system

CAS number:563-83-7

MDL number:MFCD00008019

EINECS number:209-265-9

RTECS number:TX1475000

BRN number:1737615

PubChem number:24848653

Physical property data

1. Properties: White needle-like crystals.

2. Density (g/mL, 25/4℃): 1.013

3. Melting point (℃): 127-129

4. Boiling point ( ºC): 216-220

5. Solubility: Easily soluble in water, alcohol, chloroform, slightly soluble in ether.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 24.10

2. Molar volume (cm3/mol): 95.7

3. Isotonic specific volume (90.2K): 222.7

4. Surface tension (dyne/cm): 29.3

5. Polarizability (10-24cm3): 9.55

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.2

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 3

6. Topological molecule polar surface area 43.1

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 58.6

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Exist in smoke.

Storage method

None yet

Synthesis method

1. Brief description of the production method

It is obtained by chlorination of isobutyric acid to obtain isobutyryl chloride, and then amidation. Add isobutyryl chloride dropwise to concentrated ammonia water under strong stirring, and control the addition rate so that the temperature does not exceed 15°C. After the addition was completed, the mixture was stirred for another 1 hour, and the mixture was evaporated to dryness under reduced pressure. The residue was isobutylamide and ammonium chloride. Add ethyl acetate to the residue, boil for 10 minutes, filter, and then dry under vacuum to obtain the finished product.


2. Uses

Used in organic synthesis,Prepare isobutyronitrile, etc.

BDMAEE:Bis (2-Dimethylaminoethyl) Ether

CAS NO:3033-62-3

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