2-[1-DIMETHYLAMINO-METH-(E)-YLIDENE]-3-OXO-BUTYRONITRILE

Base Information

• Chemical Name: 2-[1-DIMETHYLAMINO-METH-(E)-YLIDENE]-3-OXO-BUTYRONITRILE
• CAS No.: 885121-98-2
• Molecular Formula: C7H10N2O
• Molecular Weight: 138.1671
• Mol file: 885121-98-2.mol

Synonyms:2-[1-DIMETHYLAMINO-METH-(E)-YLIDENE]-3-OXO-BUTYRONITRILE;(E)-2-((diMethylaMino)Methylene)-3-oxobutanenitrile;2-[(Dimethylamino)methylene]-3-oxobutanenitrile

Chemical Property of 2-[1-DIMETHYLAMINO-METH-(E)-YLIDENE]-3-OXO-BUTYRONITRILE

Chemical Property:

• Boiling Point: 344.4±32.0 °C(Predicted)
• PKA: 1.59±0.70(Predicted)
• PSA: 44.10000
• Density: 1.021±0.06 g/cm3(Predicted)
• LogP: 0.54448

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

(Z)-2-Acetyl-3-(dimethylamino)-2-propenenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-[1-DIMETHYLAMINO-METH-(E)-YLIDENE]-3-OXO-BUTYRONITRILE

There total 3 articles about 2-[1-DIMETHYLAMINO-METH-(E)-YLIDENE]-3-OXO-BUTYRONITRILE 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: 93.0%

3-dimethylaminoacrylonitrile (2407-68-3) + acetic acid (64-19-7,77671-22-8) → (E/Z)-2-((dimethylamino)methylene)-3-oxobutanenitrile (885121-98-2)

Guidance literature:

With phosgene; triethylamine; In water; toluene; at 0 - 20 ℃; for 3h;

Reference yield: 84.0%

Cyanoaceton (2469-99-0) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) → (E/Z)-2-((dimethylamino)methylene)-3-oxobutanenitrile (885121-98-2)

Guidance literature:

at 25 - 80 ℃; for 1.5h;

DOI:10.1080/00304940903324390

Reference yield: 80.0%

→ (E/Z)-2-((dimethylamino)methylene)-3-oxobutanenitrile (885121-98-2)

Guidance literature:

upstream raw materials:

Cyanoaceton

N,N-dimethyl-formamide dimethyl acetal

3-dimethylaminoacrylonitrile

acetic acid

Downstream raw materials:

3-methyl-1H-pyrazole-4-carbonitrile

4'-benzyl-4-methyl-2'-phenyl-2,5'-bipyrimidine-5-carbonitrile