4-(1,3-Benzodioxol-5-ylcarbonyl)morpholine

Base Information

• Chemical Name: 4-(1,3-Benzodioxol-5-ylcarbonyl)morpholine
• CAS No.: 63916-59-6
• Molecular Formula: C12H13 N O4
• Molecular Weight: 235.2359
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50981017
• Nikkaji Number: J2.009.329C
• ChEMBL ID: CHEMBL1483476
• Mol file: 63916-59-6.mol

Synonyms:4-(1,3-Benzodioxol-5-ylcarbonyl)morpholine;63916-59-6;Piperonylic acid, morpholide;BRN 1219623;N-(3,4-Methylenedioxybenzoyl)morpholine;benzo[d][1,3]dioxol-5-yl(morpholino)methanone;Morpholine, 4-(1,3-benzodioxol-5-ylcarbonyl)-;CBMicro_028679;1,3-benzodioxol-5-yl(morpholin-4-yl)methanone;Cambridge id 5702070;Benzo[1,3]dioxol-5-yl-morpholin-4-yl-methanone;Oprea1_155022;Oprea1_473035;MLS000525608;CHEMBL1483476;DTXSID50981017;HMS2487D21;STK395990;AKOS000677514;NCGC00245246-01;SMR000116082;BIM-0028701.P001;1,3-BENZODIOXOL-5-YL(MORPHOLINO)METHANONE;(2H-1,3-Benzodioxol-5-yl)(morpholin-4-yl)methanone;Z31721378;F2299-0301

Chemical Property of 4-(1,3-Benzodioxol-5-ylcarbonyl)morpholine

Chemical Property:

• Vapor Pressure: 1.32E-07mmHg at 25°C
• Boiling Point: 430.2°Cat760mmHg
• Flash Point: 214°C
• PSA: 48.00000
• Density: 1.33g/cm³
• LogP: 0.82560
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 235.08445790
• Heavy Atom Count: 17
• Complexity: 290

Purity/Quality:

99% ^*data from raw suppliers

4-(1,3-benzodioxol-5-ylcarbonyl)morpholine AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1C(=O)C2=CC3=C(C=C2)OCO3

Technology Process of 4-(1,3-Benzodioxol-5-ylcarbonyl)morpholine

There total 9 articles about 4-(1,3-Benzodioxol-5-ylcarbonyl)morpholine 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: 99.0%

morpholine (110-91-8,99108-56-2) + piperonal (120-57-0,30024-74-9) → benzo[d][1,3]dioxol-5-yl(morpholino)methanone (63916-59-6)

Guidance literature:

With styrene; bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; cesium acetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In water; benzene; at 80 ℃; for 24h;

DOI:10.1039/c5sc03103f

Reference yield: 96.0%

morpholine (110-91-8,99108-56-2) + piperonol (495-76-1) → benzo[d][1,3]dioxol-5-yl(morpholino)methanone (63916-59-6)

Guidance literature:

With 1.9 mol% Au/HT; potassium tert-butylate; In o-xylene; at 90 ℃; for 24h; Inert atmosphere;

DOI:10.1016/j.tetlet.2012.04.048

Reference yield: 89.7%

morpholine (110-91-8,99108-56-2) + 3,4-(methylenedioxy)benzoyl chloride (25054-53-9) → benzo[d][1,3]dioxol-5-yl(morpholino)methanone (63916-59-6)

Guidance literature:

In pyridine; at 0 ℃; for 2h;

DOI:10.1248/cpb.35.2437

upstream raw materials:

morpholine

3,4-(methylenedioxy)benzoyl chloride

Piperonylic acid

piperonol

Downstream raw materials:

2-Benzo[1,3]dioxol-5-ylmethyl-5-phenethyl-1H-pyrrole

benzo[1,3]dioxol-5-yl-(3,4,5-trimethoxy-phenyl)-methanone

2-(3,4-methylenedioxybenzoyl)-5-(2-phenylethyl)pyrrole