1-(benzo[d][1,3]dioxol-5-yl)pentan-1-one

Base Information

• Chemical Name: 1-(benzo[d][1,3]dioxol-5-yl)pentan-1-one
• CAS No.: 63740-98-7
• Molecular Formula: C12H14O3
• Molecular Weight: 206.241
• Hs Code.: 2932999099
• Mol file: 63740-98-7.mol

Synonyms:1-(1,3-Benzodioxol-5-yl)-1-Pentanone;1-(1,3-Benzodioxol-5-yl)pentan-1-one;

Chemical Property of 1-(benzo[d][1,3]dioxol-5-yl)pentan-1-one

Chemical Property:

• Boiling Point: 332.643 °C at 760 mmHg
• Flash Point: 146.089 °C
• PSA: 35.53000
• Density: 1.135 g/cm³
• LogP: 2.78820
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Chloroform

Purity/Quality:

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

3,4-MethylenedioxyphenylButylKetone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Intermediate in the preparation of nervous system stimulants.

Technology Process of 1-(benzo[d][1,3]dioxol-5-yl)pentan-1-one

There total 8 articles about 1-(benzo[d][1,3]dioxol-5-yl)pentan-1-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: 68.0%

1-bromo-butane (109-65-9) + piperonylonitrile (4421-09-4) → 1-(benzo[d]-1,3-dioxol-5-yl)pentan-1-one (63740-98-7)

Guidance literature:

1-bromo-butane; With magnesium; In diethyl ether; for 3h; Inert atmosphere; Reflux;

piperonylonitrile; In toluene; for 4h; Reflux;

Reference yield: 65.0%

carbon monoxide (201230-82-2) + tetra-n-butyltin(IV) (1461-25-2) + 1,3-dihydroisobenzofuran-5-yl trifluoromethanesulfonate (109586-40-5) → 1-(benzo[d]-1,3-dioxol-5-yl)pentan-1-one (63740-98-7)

Guidance literature:

With 2,6-di-tert-butyl-4-methyl-phenol; 4 Angstroem molecular sive; lithium chloride; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In N,N-dimethyl-formamide; at 110 ℃; for 44h; under 760 Torr;

DOI:10.1021/ja00213a032

Reference yield: 65.0%

tetra-n-butyltin(IV) (1461-25-2) + 1,3-dihydroisobenzofuran-5-yl trifluoromethanesulfonate (109586-40-5) → 1-(benzo[d]-1,3-dioxol-5-yl)pentan-1-one (63740-98-7)

Guidance literature:

With LiCl; CO; dichloro{1,1'-bis(diphenylphosphino)ferrocene}palladium(II); In N,N-dimethyl-formamide; the triflate and the stannane in DMF contg. the Pd catalyst and LiCl heated at 110°C under 1 atm CO for 44 h; cooled to room temp., dild. with ether, filtered, filtrate washed with water and satd. NaCl soln., dried, concd., chromd. (flash column, hexanes/EtOAc);

DOI:10.1021/ja00213a032

upstream raw materials:

Methylenedioxybenzene

n-valeryl chloride

carbon monoxide

tetra-n-butyltin(IV)

Downstream raw materials:

MDPV

(+/-)-(1R*)-1-Bromo-1-(3,4-methylenedioxybenzoyl)butane

Refernces

• 1、 -. "Preparation method and applications of methylenedioxypyrovalerone artificial antigen". Paragraph 0082; 0083; 0085. . Retrieved 2018/07/30.
• 2、 Suzuki, Masaki,Deschamps, Jeffrey R.,Jacobson, Arthur E.,Rice, Kenner C.. "Chiral resolution and absolute configuration of the enantiomers of the psychoactive designer drug 3,4-methylenedioxypyrovalerone". . p. 287 - 293. Retrieved 2015/03/30.