2,3-Dihydro-1,4-benzodioxin-2-ylacetonitrile

Base Information

• Chemical Name: 2,3-Dihydro-1,4-benzodioxin-2-ylacetonitrile
• CAS No.: 18505-91-4
• Molecular Formula: C10H9NO2
• Molecular Weight: 175.18396
• Hs Code.: 2932999099
• European Community (EC) Number: 874-200-9
• NSC Number: 106870
• ChEMBL ID: CHEMBL2006999
• Mol file: 18505-91-4.mol

Synonyms:18505-91-4;2-(2,3-dihydro-1,4-benzodioxin-3-yl)acetonitrile;2,3-Dihydro-1,4-benzodioxin-2-ylacetonitrile;(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-acetonitrile;2-(2,3-dihydro-1,4-benzodioxin-2-yl)acetonitrile;2-(2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)acetonitrile;NSC106870;NSC 106870;Oprea1_191932;Oprea1_805309;SCHEMBL407408;2-cyanomethyl 1,4-benzodioxan;2-cyanomethyl-1,4-benzodioxane;CHEMBL2006999;PWZFEIJALHLRKF-UHFFFAOYSA-N;1,4-benzodioxan-2-yl-acetonitrile;STK975547;AKOS003661063;AKOS017344396;NSC-106870;NCI60_000158;CS-0215460;FT-0691377;2-cyanomethyl-(2,3dihydrobenzo[1,4]dioxine);2-cyanomethyl-(2,3 dihydrobenzo[1,4]dioxin);2-cyanomethyl-(2,3 dihydrobenzo[1,4]dioxine);EN300-249514;(2,3-Dihydro-benzo[1,4]-dioxin-2-yl)-acetonitrile;Z1198156412

Chemical Property of 2,3-Dihydro-1,4-benzodioxin-2-ylacetonitrile

Chemical Property:

• Boiling Point: 326.7 °C at 760 mmHg
• Flash Point: 137.5 °C
• PSA: 42.25000
• Density: 1.173 g/cm³
• LogP: 1.74008
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 175.063328530
• Heavy Atom Count: 13
• Complexity: 220

Purity/Quality:

99% ^*data from raw suppliers

2-(2,3-dihydro-1,4-benzodioxin-2-yl)acetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(OC2=CC=CC=C2O1)CC#N

Technology Process of 2,3-Dihydro-1,4-benzodioxin-2-ylacetonitrile

There total 9 articles about 2,3-Dihydro-1,4-benzodioxin-2-ylacetonitrile 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: 93.0%

potassium cyanide + 2-(bromomethyl)-2,3-dihydrobenzo[1,4]dioxine (2164-34-3) → 2-(2,3-Dihydro-1,4-benzodioxin-2-yl)acetonitrile (18505-91-4)

Guidance literature:

In dimethyl sulfoxide; at 20 ℃; for 20h;

DOI:10.1021/jm400894u

Reference yield: 64.0%

2-(toluene-4-sulfonyloxymethyl)-2,3-dihydro-benzo[1,4]dioxine (1094-91-3) + potassium cyanide (151-50-8) → 2-(2,3-Dihydro-1,4-benzodioxin-2-yl)acetonitrile (18505-91-4)

Guidance literature:

In dimethyl sulfoxide;

DOI:10.1016/j.bmc.2007.04.050

Reference yield: 60.0%

2-(bromomethyl)-2,3-dihydrobenzo[1,4]dioxine (2164-34-3) + sodium cyanide (143-33-9,25596-52-5) → 2-(2,3-Dihydro-1,4-benzodioxin-2-yl)acetonitrile (18505-91-4)

Guidance literature:

In dimethyl sulfoxide; at 65 ℃; for 72h;

DOI:10.1016/S0223-5234(00)00164-1

upstream raw materials:

potassium cyanide

2-(bromomethyl)-2,3-dihydrobenzo[1,4]dioxine

sodium cyanide

2-(toluene-4-sulfonyloxymethyl)-2,3-dihydro-benzo[1,4]dioxine

Downstream raw materials:

1-benzyl-2-(1,4-benzodioxan-2-ylmethyl)imidazole

imiloxan

2-(2,3-dihydrobenzo[1,4]dioxin-2-yl)ethylamine

2-Carboxymethyl-2,3-dihydro-1,4-benzodioxin