Cyclopropyl-P-nitrophenyl ketone

Base Information

• Chemical Name: Cyclopropyl-P-nitrophenyl ketone
• CAS No.: 93639-12-4
• Molecular Formula: C10H9 N O3
• Molecular Weight: 191.186
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID601295119
• Mol file: 93639-12-4.mol

Synonyms:cyclopropyl(4-nitrophenyl)methanone;93639-12-4;CYCLOPROPYL-P-NITROPHENYL KETONE;SCHEMBL9485674;DTXSID601295119;cyclopropyl-(4-nitrophenyl) methanone;AKOS006277734

Chemical Property of Cyclopropyl-P-nitrophenyl ketone

Chemical Property:

• PSA: 62.89000
• LogP: 2.71070
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 191.058243149
• Heavy Atom Count: 14
• Complexity: 247

Purity/Quality:

99% ^*data from raw suppliers

CYCLOPROPYL-P-NITROPHENYL KETONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of Cyclopropyl-P-nitrophenyl ketone

There total 8 articles about Cyclopropyl-P-nitrophenyl ketone 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: 19.0%

4-nitrobenzaldehdye (555-16-8) + cyclopropylboronic acid (411235-57-9) → cyclopropyl(4-nitrophenyl)methanone (93639-12-4)

Guidance literature:

4-nitrobenzaldehdye; cyclopropylboronic acid; With potassium fluoride dihydrate; copper(II) bis(trifluoromethanesulfonate); 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In toluene; at -20 - 20 ℃; for 6h; Inert atmosphere;

With oxygen; In toluene; at 20 - 120 ℃; for 24.5h;

DOI:10.1055/s-0030-1260789

Reference yield: 13.0%

diiodomethane (75-11-6) + 1-(4-nitrophenyl)prop-2-en-1-one (22731-72-2) → cyclopropyl(4-nitrophenyl)methanone (93639-12-4)

Guidance literature:

With diethylzinc; copper(II) bis(trifluoromethanesulfonate); In diethyl ether; for 13h;

DOI:10.1246/cl.131193

Reference yield:

tricyclopropylbismuthane (925430-09-7) + p-nitrobenzene iodide (636-98-6) + carbon monoxide (201230-82-2) → cyclopropyl(4-nitrophenyl)methanone (93639-12-4)

Guidance literature:

With (η3-allyl)(N,N'-bis(2,6-diisopropylphenyl)-4,5-dihydroimidazol-2-ylidene)chloropalladium(II); sodium carbonate; lithium chloride; In N,N-dimethyl-formamide; at 40 ℃; for 16h; under 760.051 Torr; Inert atmosphere; Sealed tube;

DOI:10.1055/s-0036-1590832

upstream raw materials:

cyclopropyl phenyl ketone

(4-aminophenyl)(cyclopropyl)methanone

1-(4-acetylaminophenyl)-4-chloro-1-butanone

Acetanilid

Downstream raw materials:

(4-Cyclopropanecarbonyl-phenyl)-carbamic acid benzyl ester

[4-(Cyclopropyl-hydroxy-methyl)-phenyl]-carbamic acid benzyl ester

3-[(4-Aminophenyl)cyclopropylmethyl]-5,6,7,8,9,10-hexahydro-4-hydroxy-2H-cycloocta[b]pyran-2-one

{4-[Cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)-methyl]-phenyl}-carbamic acid benzyl ester