N-propylisatoic anhydride

Base Information

• Chemical Name: N-propylisatoic anhydride
• CAS No.: 57384-38-0
• Molecular Formula: C11H11NO3
• Molecular Weight: 205.21000
• DSSTox Substance ID: DTXSID40398059
• Nikkaji Number: J3.079.185A
• Wikidata: Q82199811
• ChEMBL ID: CHEMBL2146657

Synonyms:N-propylisatoic anhydride;57384-38-0;1-propyl-3,1-benzoxazine-2,4-dione;SCHEMBL5263281;CHEMBL2146657;DTXSID40398059;GGMJXZRDZQXNSI-UHFFFAOYSA-N;AKOS002665035;1-Propyl-1H-3,1-benzooxazine-2,4-dione

Chemical Property of N-propylisatoic anhydride

Chemical Property:

• Melting Point: 93-95 °C
• Boiling Point: 323.5±25.0 °C(Predicted)
• PSA: 52.21000
• Density: 1.240±0.06 g/cm3(Predicted)
• LogP: 1.36470
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 205.07389321
• Heavy Atom Count: 15
• Complexity: 277

Purity/Quality:

99% ^*data from raw suppliers

1-propyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN1C2=CC=CC=C2C(=O)OC1=O

Technology Process of N-propylisatoic anhydride

There total 4 articles about N-propylisatoic anhydride 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: 84.0%

isatoic anhydride (118-48-9) + 1-iodo-propane (107-08-4) → N-propylisatoic acid anhydride (57384-38-0)

Guidance literature:

isatoic anhydride; With sodium hydride; In N,N-dimethyl-formamide; for 1h;

1-iodo-propane; In N,N-dimethyl-formamide; for 24h;

DOI:10.1016/j.ejmech.2011.02.062

Reference yield: 63.0%

carbon monoxide (201230-82-2) + N-propylaniline (622-80-0) → N-propylisatoic acid anhydride (57384-38-0)

Guidance literature:

With copper diacetate; palladium diacetate; potassium iodide; In acetonitrile; at 60 ℃; under 760.051 Torr; regioselective reaction;

DOI:10.1021/ja308976x

Reference yield: 59.0%

isatoic anhydride (118-48-9) + propyl bromide (106-94-5) → N-propylisatoic acid anhydride (57384-38-0)

Guidance literature:

isatoic anhydride; With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

propyl bromide; In N,N-dimethyl-formamide; for 18h;

DOI:10.1016/j.bmc.2012.08.049

upstream raw materials:

isatoic anhydride

1-iodo-propane

propyl bromide

carbon monoxide

Downstream raw materials:

[2-(4,5-Dihydro-oxazol-2-yl)-phenyl]-propyl-amine

9a-Oxo-1-[(Z)-phenylimino]-9-propyl-3,4,9,9a-tetrahydro-1H-2-thia-4a,9-diaza-9aλ⁵-phospha-anthracen-10-one

9a-Oxo-9-propyl-1-[(Z)-p-tolylimino]-3,4,9,9a-tetrahydro-1H-2-thia-4a,9-diaza-9aλ⁵-phospha-anthracen-10-one

1-[(Z)-4-Chloro-phenylimino]-9a-oxo-9-propyl-3,4,9,9a-tetrahydro-1H-2-thia-4a,9-diaza-9aλ⁵-phospha-anthracen-10-one

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