N,N,2-TRIMETHYLPROPIONAMIDE

Base Information

• Chemical Name: N,N,2-TRIMETHYLPROPIONAMIDE
• CAS No.: 21678-37-5
• Molecular Formula: C6H13NO
• Molecular Weight: 115.175
• Hs Code.: 2924199090
• European Community (EC) Number: 606-821-6
• NSC Number: 53151
• DSSTox Substance ID: DTXSID80287892
• Nikkaji Number: J276.604C
• Wikidata: Q72470727
• Mol file: 21678-37-5.mol

Synonyms:N,N,2-Trimethylpropionamide,99%;

Chemical Property of N,N,2-TRIMETHYLPROPIONAMIDE

Chemical Property:

• Vapor Pressure: 1.28mmHg at 25°C
• Refractive Index: n20/D 1.439(lit.)
• Boiling Point: 173.2 °C at 760 mmHg
• PKA: -0.47±0.70(Predicted)
• Flash Point: 63.7 °C
• PSA: 20.31000
• Density: 0.87 g/cm³
• LogP: 0.73060
• Water Solubility.: Soluble in water.
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 115.099714038
• Heavy Atom Count: 8
• Complexity: 86.5

Purity/Quality:

98%,99%, ^*data from raw suppliers

N,N-Dimethylisobutyramide >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)C(=O)N(C)C
• Uses: 1- chloro-N,N-2-trimethylpropenylamine readily prepared' from N,N-dimethylisobutyramide. Isoxazoles are prepared by deprotonation of N,N-dimethylisobutyramide. N,N-Dimethylisobutyramide may be used in the preparation of 1-chloro-N,N,2-trimethylpropenylamine.

Technology Process of N,N,2-TRIMETHYLPROPIONAMIDE

There total 18 articles about N,N,2-TRIMETHYLPROPIONAMIDE 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: 91.0%

2,3,4,5-tetra-O-acetyl-D-glucopyranose (3947-62-4,6207-76-7,19235-21-3,22554-70-7,22860-22-6,47339-09-3,57884-82-9,62057-79-8,70191-05-8,109525-54-4,140147-37-1,10343-06-3) + 1-chloro-1-(dimethylamino)-2-methyl-1-propene (26189-59-3) → N,N,2-trimethylpropionamide (21678-37-5) + 2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl chloride (4451-35-8)

Guidance literature:

In chloroform; for 6h; Product distribution; Ambient temperature;

DOI:10.1016/S0040-4039(00)99408-5

Reference yield: 77.0%

2,3,4,5-tetra-O-acetyl-D-glucopyranose (3947-62-4,6207-76-7,19235-21-3,22554-70-7,22860-22-6,47339-09-3,57884-82-9,62057-79-8,70191-05-8,109525-54-4,140147-37-1,10343-06-3) + 1-bromo-N,N,2-trimethyl-1-propen-1-amine (73630-93-0) → N,N,2-trimethylpropionamide (21678-37-5) + 2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide (572-09-8)

Guidance literature:

In chloroform; for 6h; Product distribution; Ambient temperature;

DOI:10.1016/S0040-4039(00)99408-5

Reference yield:

benzyl alcohol (100-51-6,185532-71-2) → N,N,2-trimethylpropionamide (21678-37-5) + benzyl chloride (100-44-7)

Guidance literature:

With 1-chloro-1-(dimethylamino)-2-methyl-1-propene; In dichloromethane; 1.) 0 deg C; 2.) rt., 3h;

DOI:10.1016/S0040-4039(00)99407-3

upstream raw materials:

(E)-but-2-enol

Geraniol

Farnesol

2,3,4,5-tetra-O-acetyl-D-glucopyranose

Downstream raw materials:

N,N-dimethylisobutylamine

N,N,2-Trimethyl-1-propen-1-amin

1-bromo-3-methyl-2-butanone

5-isopropyl-3-phenyl-1,2,4-oxadiazole

Refernces

• 1、 Munyemana, Fran?ois,George, Isabelle,Devos, Alain,Colens, Alain,Badarau, Eduard,Frisque-Hesbain, Anne-Marie,Loudet, Aurore,Differding, Edmond,Damien, Jean-Marie,Rémion, Jeanine,Van Uytbergen, Jacqueline,Ghosez, Léon. "A mild method for the replacement of a hydroxyl group by halogen. 1. Scope and chemoselectivity". . p. 420 - 430. Retrieved 2015/12/31.
• 2、 Ernst, Beat.,Winkler, Tammo.. "PREPARATION OF GLYCOSYL HALIDES UNDER NEUTRAL CONDITIONS". . p. 3081 - 3084. Retrieved 2007/10/02.