Pyrrolidine, 1-(1,3-benzodioxol-5-ylcarbonyl)-

Base Information

Chemical Name:Pyrrolidine, 1-(1,3-benzodioxol-5-ylcarbonyl)-
CAS No.:64654-10-0
Molecular Formula:C12H13 N O3
Molecular Weight:219.2365
Hs Code.:2934999090
DSSTox Substance ID:DTXSID50214918
Nikkaji Number:J126.010C
Wikidata:Q83090837
ChEMBL ID:CHEMBL1584375
Mol file:64654-10-0.mol

Synonyms:Pyrrolidine, 1-(1,3-benzodioxol-5-ylcarbonyl)-;64654-10-0;1,3-benzodioxol-5-yl(pyrrolidin-1-yl)methanone;BRN 5552537;N-(3,4-Methylenedioxybenzoyl)pyrrolidine;1-(1,3-Benzodioxol-5-ylcarbonyl)pyrrolidine;TimTec1_006662;Benzo[1,3]dioxol-5-yl-pyrrolidin-1-yl-methanone;Oprea1_205207;Oprea1_666081;MLS000525341;SCHEMBL5970063;CHEMBL1584375;DTXSID50214918;HMS1552O18;HMS2352A23;STL260183;AKOS001389495;NCGC00245244-01;SMR000122215;1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidine;benzo[d][1,3]dioxol-5-yl(pyrrolidin-1-yl)methanone;Z31480418;F2299-0302

Suppliers and Price of Pyrrolidine, 1-(1,3-benzodioxol-5-ylcarbonyl)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
1-(1,3-BENZODIOXOL-5-YLCARBONYL)PYRROLIDINE 95.00%
5MG
$ 505.64

Total 1 raw suppliers

Chemical Property of Pyrrolidine, 1-(1,3-benzodioxol-5-ylcarbonyl)-

Chemical Property:

Vapor Pressure:2.61E-06mmHg at 25°C
Boiling Point:390.6°Cat760mmHg
Flash Point:190°C
PSA：38.77000
Density:1.305g/cm³
LogP:1.58920
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:219.08954328
Heavy Atom Count:16
Complexity:275

Purity/Quality:: 1-(1,3-BENZODIOXOL-5-YLCARBONYL)PYRROLIDINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCN(C1)C(=O)C2=CC3=C(C=C2)OCO3
Uses 1,?3-?Benzodioxol-?5-?yl-?1-?pyrrolidinyl-methanone is an intermediate for the synthesis of Pancratistatin (P173600), which acts as an anti-cancer compound that initiates cell-death in cancer cells.

Technology Process of Pyrrolidine, 1-(1,3-benzodioxol-5-ylcarbonyl)-

There total 3 articles about Pyrrolidine, 1-(1,3-benzodioxol-5-ylcarbonyl)- 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: 94.0%

: 123-75-1
pyrrolidine

: 25054-53-9
3,4-(methylenedioxy)benzoyl chloride

: 64654-10-0
benzo[d][1,3]dioxol-5-yl(pyrrolidin-1-yl)methanone

Guidance literature:: With triethylamine; In dichloromethane; at 0 - 20 ℃; for 16h; Inert atmosphere;
DOI:10.1021/acs.orglett.7b01220

Reference yield: 37.0%

: 123-75-1
pyrrolidine

: 1,3-bis(3,4-methylenedioxyphenyl)-2-propanone

: 64654-10-0
benzo[d][1,3]dioxol-5-yl(pyrrolidin-1-yl)methanone

Guidance literature:: With tetra-(n-butyl)ammonium iodide; In acetonitrile; at 20 ℃; Electrolysis;
DOI:10.1016/j.tet.2018.03.033

Reference yield:

: 94-53-1
Piperonylic acid

: 64654-10-0
benzo[d][1,3]dioxol-5-yl(pyrrolidin-1-yl)methanone

Guidance literature:: Multi-step reaction with 2 steps

1: oxalyl chloride / CHCl₃ / Ambient temperature

2: tetrahydrofuran; H₂O / 0.5 h / Ambient temperature

With oxalyl dichloride; In tetrahydrofuran; chloroform; water;