2-(2H-1,3-benzodioxol-5-yl)-2-(morpholin-4-yl)acetonitrile

Base Information

• Chemical Name: 2-(2H-1,3-benzodioxol-5-yl)-2-(morpholin-4-yl)acetonitrile
• CAS No.: 37673-10-2
• Molecular Formula: C13H14N2O3
• Molecular Weight: 246.26200
• ChEMBL ID: CHEMBL1191355
• DSSTox Substance ID: DTXSID901242852
• Nikkaji Number: J273.938K
• Mol file: 37673-10-2.mol

Synonyms:37673-10-2;2-(2H-1,3-benzodioxol-5-yl)-2-(morpholin-4-yl)acetonitrile;CHEMBL1191355;DTXSID901242852;BDBM50005216;MFCD10005243;AKOS016368156;alpha-1,3-Benzodioxol-5-yl-4-morpholineacetonitrile;2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetonitrile

Chemical Property of 2-(2H-1,3-benzodioxol-5-yl)-2-(morpholin-4-yl)acetonitrile

Chemical Property:

• PSA: 54.72000
• LogP: 1.25008
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 246.10044231
• Heavy Atom Count: 18
• Complexity: 334

Purity/Quality:

99% ^*data from raw suppliers

2-(1,3-BENZODIOXOL-5-YL)-2-MORPHOLINOACETONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(2H-1,3-benzodioxol-5-yl)-2-(morpholin-4-yl)acetonitrile

There total 5 articles about 2-(2H-1,3-benzodioxol-5-yl)-2-(morpholin-4-yl)acetonitrile 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: 79.0%

morpholine (110-91-8,99108-56-2) + piperonal (120-57-0,30024-74-9) + 2-hydroxy-2-methylpropanenitrile (75-86-5) → 2-(Benzo<1,2-d><1,3>dioxol-5-yl)-2-morpholinoacetonitril (37673-10-2)

Guidance literature:

morpholine; piperonal; for 0.5h;

2-hydroxy-2-methylpropanenitrile; With sulfuric acid supported on silica gel; In acetonitrile; at 20 ℃;

DOI:10.1016/j.ejmech.2014.03.067

Reference yield: 78.0%

morpholine (110-91-8,99108-56-2) + potassium cyanide + piperonal (120-57-0,30024-74-9) → 2-(Benzo<1,2-d><1,3>dioxol-5-yl)-2-morpholinoacetonitril (37673-10-2)

Guidance literature:

morpholine; piperonal; for 0.5h;

potassium cyanide; With sulfuric acid supported on silica gel; In acetonitrile; at 20 ℃;

DOI:10.1016/j.ejmech.2014.03.067

Reference yield:

morpholine (110-91-8,99108-56-2) + piperonal (120-57-0,30024-74-9) + sodium cyanide (143-33-9,25596-52-5) → 2-(Benzo<1,2-d><1,3>dioxol-5-yl)-2-morpholinoacetonitril (37673-10-2)

Guidance literature:

With perchloric acid; Multistep reaction; 1) 60 deg C, 1h, 2) H₂O, 90 deg C, 1 h;

DOI:10.1021/jo00288a012

upstream raw materials:

morpholine

piperonal

sodium cyanide

potassium cyanide

Downstream raw materials:

4-methoxy-6-(3',4'-(methylenedioxy)phenyl)-2H-pyran-2-one

2-(Benzo<1,2-d><1,3>dioxol-5-yl)-Δ¹-pyrrolin

1-(3,4-methylenedioxyphenyl)-2-(3',4',5'-trimethoxyphenyl)ethanone

1-(benzo[d][1,3]dioxol-5-yl)butane-1,3-dione