N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Base Information

• Chemical Name: N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
• CAS No.: 68281-25-4
• Molecular Formula: C12H13NO3
• Molecular Weight: 219.2365
• NSC Number: 36582
• ChEMBL ID: CHEMBL1898840
• Mol file: 68281-25-4.mol

Synonyms:MLS000738126;n-(prop-2-en-1-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide;NSC36582;N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide;SCHEMBL4651767;CHEMBL1898840;HMS2756G09;NSC-36582;AKOS000609952;AKOS017081196;SMR000393889;F6541-3131;N-allyl-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide

Chemical Property of N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Chemical Property:

• Vapor Pressure: 5.29E-07mmHg at 25°C
• Boiling Point: 412.2°C at 760 mmHg
• Flash Point: 203.1°C
• Density: 1.175g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 219.08954328
• Heavy Atom Count: 16
• Complexity: 267

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCNC(=O)C1COC2=CC=CC=C2O1

Technology Process of N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

There total 3 articles about N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide 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:

benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) → 2,3-dihydro-benzo[1,4]dioxin-2-carboxylic acid allylamide (68281-25-4)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate; acetone

2: ethanol; water

With ethanol; water; potassium carbonate; acetone;

DOI:10.1021/ja01625a050

Reference yield:

ethyl 2,3-dihydro-1,4-benzodioxin-2-carboxylate (4739-94-0) + 1-amino-2-propene (107-11-9,30551-89-4) → 2,3-dihydro-benzo[1,4]dioxin-2-carboxylic acid allylamide (68281-25-4)

Guidance literature:

With ethanol; water;

DOI:10.1021/ja01625a050

Reference yield:

→ 2,3-dihydro-benzo[1,4]dioxin-2-carboxylic acid allylamide (68281-25-4)

Guidance literature:

upstream raw materials:

ethyl 2,3-dihydro-1,4-benzodioxin-2-carboxylate

1-amino-2-propene

benzene-1,2-diol