Crotonophenone, 3-(methylamino)-

Base Information

• Chemical Name: Crotonophenone, 3-(methylamino)-
• CAS No.: 14091-93-1
• Molecular Formula: C11H13 N O
• Molecular Weight: 175.23
• Hs Code.: 2922399090
• Mol file: 14091-93-1.mol

Synonyms:Crotonophenone, 3-(methylamino)-;14091-93-1;2-Buten-1-one, 3-(methylamino)-1-phenyl-;(E)-3-(methylamino)-1-phenylbut-2-en-1-one;1-Phenyl-3-(methylamino)-2-butene-1-one;(E)-3-(Methylamino)-1-phenyl-but-2-enone;AYAHPVFYLSWGGO-CMDGGOBGSA-N;3-(Methylamino)-1-phenyl-but-2-enone;3-(Methylamino)-1-phenyl-2-buten-1-one

Chemical Property of Crotonophenone, 3-(methylamino)-

Chemical Property:

• Vapor Pressure: 0.00361mmHg at 25°C
• Boiling Point: 281.2°Cat760mmHg
• Flash Point: 112.5°C
• PSA: 29.10000
• Density: 1.014g/cm³
• LogP: 2.38340
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 175.099714038
• Heavy Atom Count: 13
• Complexity: 202

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC(=O)C1=CC=CC=C1)NC
• Isomeric SMILES: C/C(=C\C(=O)C1=CC=CC=C1)/NC

Technology Process of Crotonophenone, 3-(methylamino)-

There total 8 articles about Crotonophenone, 3-(methylamino)- 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: 50.0%

benzoylacetonatoboron difluoride (34075-91-7,14871-98-8) + methylamine (74-89-5) → 3-(methylamino)-1-phenylbut-2-en-1-one (14091-93-1)

Guidance literature:

In water; acetonitrile; for 2h;

DOI:10.1007/s11172-015-1157-2

Reference yield:

2,3-dimethyl-5-phenylisoxazolium trifluoromethanesulfonate → 2,3-dimethyl-5-phenyl-4-isoxazoline (52266-11-2) + 3-(methylamino)-1-phenylbut-2-en-1-one (14091-93-1)

Guidance literature:

With bis(1,5-cyclooctadiene)diiridium(I) dichloride; hydrogen; iodine; potassium hydrogencarbonate; (4S)-2-[2-(diphenylphosphino)phenyl]-4-isopropyl-4,5-dihydro-1,3-oxazole; In acetonitrile; at 70 ℃; for 4h; under 37503.8 Torr; Overall yield = 33 %Spectr.; enantioselective reaction; Autoclave;

DOI:10.1002/chem.201600732

Reference yield:

2,3-dimethyl-5-phenylisoxazolium iodide (65409-03-2) → 3-(methylamino)-1-phenylbut-2-en-1-one (14091-93-1)

Guidance literature:

With phosphate buffer pH 6; In ethanol; Yield given; electrochemical reduction;

upstream raw materials:

methylamine

1-phenylbutan-1,3-dione

methyl magnesium iodide

2,3-dimethyl-5-phenylisoxazolium iodide

Downstream raw materials:

erythro-3-Methylamino-1-phenyl-butanol

1-phenylbutan-1,3-dione

erythro-3-methylamino-1-phenyl-1-butanol

5-((4-methoxyphenyl)diazenyl)-3,4-dimethyl-2,2,6-triphenyl-1,3,2λ4-oxazaborine