4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-propyl-

Base Information

• Chemical Name: 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-propyl-
• CAS No.: 20973-05-1
• Molecular Formula: C11H13NO2
• Molecular Weight: 191.2264
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70175158
• Nikkaji Number: J67.841D
• Wikidata: Q83045417
• Mol file: 20973-05-1.mol

Synonyms:4H-1,3-BENZOXAZIN-4-ONE, 2,3-DIHYDRO-3-PROPYL-;20973-05-1;BRN 1570601;2,3-Dihydro-3-propyl-4H-1,3-benzoxazin-4-one;DTXSID70175158;LS-41953;3-Propyl-2H-1,3-benzoxazin-4(3H)-one

Chemical Property of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-propyl-

Chemical Property:

• Vapor Pressure: 0.000122mmHg at 25°C
• Boiling Point: 335.2°Cat760mmHg
• Flash Point: 156.5°C
• PSA: 29.54000
• Density: 1.131g/cm³
• LogP: 1.82660
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 191.094628657
• Heavy Atom Count: 14
• Complexity: 217

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN1COC2=CC=CC=C2C1=O

Technology Process of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-propyl-

There total 2 articles about 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-propyl- 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: 70.0%

dichloromethane (75-09-2) + N-propyl-2-iodobenzamide (333349-52-3) → 3-propyl-2,3-dihydro-4H-benzo[e][1,3]oxazin-4-one (20973-05-1)

Guidance literature:

With 1,10-Phenanthroline; copper(I) bromide; lithium hydroxide; In dimethyl sulfoxide; at 100 ℃; for 12h; Sealed tube;

DOI:10.1039/c7ob00625j

Reference yield:

1,3,5-Trioxan (110-88-3) + 2-hydroxy-N-propylbenzamide (7461-94-1) → 3-propyl-2,3-dihydro-4H-benzo[e][1,3]oxazin-4-one (20973-05-1)

Guidance literature:

With hydrogenchloride; In chloroform; acetic acid;

DOI:10.1021/jm00311a028

Reference yield:

3-propyl-2,3-dihydro-4H-benzo[e][1,3]oxazin-4-one (20973-05-1) → 6-nitro-3-propyl-2,3-dihydro-benzo[e][1,3]oxazin-4-one (20973-06-2)

Guidance literature:

With sulfuric acid; nitric acid; In acetic acid;

DOI:10.1021/jm00311a028

upstream raw materials:

1,3,5-Trioxan

2-hydroxy-N-propylbenzamide

dichloromethane

N-propyl-2-iodobenzamide

Downstream raw materials:

6-nitro-3-propyl-2,3-dihydro-benzo[e][1,3]oxazin-4-one

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