(E)-4-(dimethylamino)but-3-en-2-one

Base Information

• Chemical Name: (E)-4-(dimethylamino)but-3-en-2-one
• CAS No.: 2802-08-6
• Molecular Formula: C6H11NO
• Molecular Weight: 113.159
• Hs Code.: 29223900
• European Community (EC) Number: 627-627-8,953-373-5
• Nikkaji Number: J119.398H,J847.762K
• Mol file: 2802-08-6.mol

Synonyms:(E)-4-(dimethylamino)but-3-en-2-one;2802-08-6;4-(dimethylamino)but-3-en-2-one;trans-4-(Dimethylamino)-3-buten-2-one;1190-91-6;(3E)-4-(dimethylamino)but-3-en-2-one;1-DIMETHYLAMINO-BUT-1-EN-3-ONE;4-(dimethylamino)-3-buten-2-one;MFCD00142611;3-Buten-2-one, 4-(dimethylamino)-;(E)-4-dimethylamino-but-3-en-2-one;3-Buten-2-one, 4-(dimethylamino)- (6CI,7CI,8CI,9CI);(3E)-4-(Dimethylamino)-3-buten-2-one;SCHEMBL951880;SCHEMBL951882;3-BUTEN-2-ONE, 4-(DIMETHYLAMINO)-, (3E)-;4-dimethylamino-3-buten-2-one;AMY31395;BBL028273;STK802358;AKOS005265081;AKOS025149894;CS-W016611;s11427;(E)-4-(Dimethylamino)-3-buten-2-one;AS-61804;(3E)-4-(Dimethylamino)-3-buten-2-one #;3-Buten-2-one,4-(dimethylamino)-,(3E)-;D5614;EN300-97053;1-DIMETHYLAMINO-BUT-1-EN-3-ONE, 98;EN300-311017;Methyl .beta.-(N,N-dimethylamino)vinyl ketone;trans-4-(Dimethylamino)-3-buten-2-one, 97%;A804197;J-016947

Chemical Property of (E)-4-(dimethylamino)but-3-en-2-one

Chemical Property:

• Appearance/Colour: clear reddish-brown to dark brown liquid
• Vapor Pressure: 1.56mmHg at 25°C
• Refractive Index: n20/D 1.557(lit.)
• Boiling Point: 169.2 °C at 760 mmHg
• PKA: 5.56±0.70(Predicted)
• Flash Point: 54.3 °C
• PSA: 20.31000
• Density: 0.901 g/cm³
• LogP: 0.65070
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 113.084063974
• Heavy Atom Count: 8
• Complexity: 105

Purity/Quality:

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

trans-4-(Dimethylamino)-3-buten-2-one ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)C=CN(C)C
• Isomeric SMILES: CC(=O)/C=C/N(C)C
• Uses: trans-4-(Dimethylamino)-3-buten-2-one is an reagent used in the synthetic preparation of various substances. trans-4-(Dimethylamino)-3-buten-2-one may be used in the preparation of 1,3,5-triacetylbenzene.

Technology Process of (E)-4-(dimethylamino)but-3-en-2-one

There total 2 articles about (E)-4-(dimethylamino)but-3-en-2-one 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: 87.0%

trans-4-methoxy-3-buten-2-one (51731-17-0) + DIMCARB (4137-10-4) → (E)-4-(dimethylamino)but-3-en-2-one (2802-08-6)

Guidance literature:

In dichloromethane; at 20 ℃; for 12h;

DOI:10.1021/ol006742e

Reference yield:

dimethyl amine (124-40-3) + 4-chloro-3-buten-2-one (7119-27-9) → (E)-4-(dimethylamino)but-3-en-2-one (2802-08-6)

Guidance literature:

DOI:10.1039/P29750000665

Reference yield: 95.0%

(E)-4-(dimethylamino)but-3-en-2-one (2802-08-6) + (E)-2,4-dimethylbenzaldehyde oxime (141304-07-6) → 1-(3-(2,4-dimethylphenyl)isoxazol-4-yl)ethan-1-one

Guidance literature:

With [hydroxy(tosyloxy)iodo]benzene; In dichloromethane; at 20 ℃; for 24h; regioselective reaction; Inert atmosphere;

DOI:10.1002/ejoc.201901258

upstream raw materials:

dimethyl amine

4-chloro-3-buten-2-one

trans-4-methoxy-3-buten-2-one

DIMCARB

Downstream raw materials:

2-hydroxy-6-methylnicotinonitrile

2-methyl-3-oxobutanal

6-amino-5-nitro-2-picoline

(1E)-3-{[tert-butyl(dimethyl)silyl]oxy}-N,N-dimethyl-1,3-butadien-1-amine