1,4-Dihydro-2H-3,1-benzoxazin-2-one

Base Information

• Chemical Name: 1,4-Dihydro-2H-3,1-benzoxazin-2-one
• CAS No.: 13213-88-2
• Molecular Formula: C8H7 N O2
• Molecular Weight: 149.149
• Hs Code.: 2934999090
• European Community (EC) Number: 236-183-0
• DSSTox Substance ID: DTXSID20157363
• Nikkaji Number: J54.918E
• Wikidata: Q83025508
• Mol file: 13213-88-2.mol

Synonyms:13213-88-2;1H-benzo[d][1,3]oxazin-2(4H)-one;1,4-Dihydro-2H-3,1-benzoxazin-2-one;1,4-dihydro-3,1-benzoxazin-2-one;1,4-dihydro-benzo[d][1,3]oxazin-2-one;BRN 0133061;EINECS 236-183-0;4H-3,1-BENZOXAZIN-2-ONE, 1,2-DIHYDRO-;1,2-Dihydro-4H-3,1-benzoxazin-2-one;2,4-dihydro-1H-3,1-benzoxazin-2-one;MFCD01663880;4-27-00-02727 (Beilstein Handbook Reference);(4h)-3,1-benzoxazinone;SCHEMBL464780;DTXSID20157363;4H-3,1-Benzoxazine-2(1H)-one;2-oxo-dihydrobenzo[d][1,3]oxazine;AC3815;1,4-dihydro-[3,1]benzoxazin-2-one;AKOS006277067;1,2-dihydro-2-oxo-[3,1]benzoxazine;BS-27430;LS-41863;SY129148;2H-3,1-Benzoxazin-2-one, 1,4-dihydro-;CS-0145262;FT-0743365;1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one;EN300-140306;Z1198157416

Chemical Property of 1,4-Dihydro-2H-3,1-benzoxazin-2-one

Chemical Property:

• Vapor Pressure: 0.255mmHg at 25°C
• Boiling Point: 205.1°Cat760mmHg
• Flash Point: 77.8°C
• PSA: 41.82000
• Density: 1.244g/cm³
• LogP: 1.19790
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 149.047678466
• Heavy Atom Count: 11
• Complexity: 170

Purity/Quality:

97% ^*data from raw suppliers

1,4-Dihydro-benzo[d][1,3]oxazin-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=CC=CC=C2NC(=O)O1

Technology Process of 1,4-Dihydro-2H-3,1-benzoxazin-2-one

There total 36 articles about 1,4-Dihydro-2H-3,1-benzoxazin-2-one 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: 99.0%

carbon monoxide (201230-82-2) + 2-azidobenzyl alcohol (20615-76-3) → 1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one (13213-88-2)

Guidance literature:

With triethylamine; palladium dichloride; In N,N-dimethyl acetamide; at 70 ℃; for 24h; under 760.051 Torr; Schlenk technique;

DOI:10.1039/c4cc00538d

Reference yield: 90.0%

2-hydroxymethylbenzamide (33832-98-3) → 1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one (13213-88-2)

Guidance literature:

With bis-[(trifluoroacetoxy)iodo]benzene; In N,N-dimethyl-formamide; at 0 ℃; for 1h;

DOI:10.1016/j.tetlet.2007.10.114

Reference yield: 89.0%

1-(2-(hydroxymethyl)phenyl)-3-methoxyurea → 1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one (13213-88-2)

Guidance literature:

With ferrocene; tetrabutylammonium tetrafluoroborate; In acetonitrile; at 23 ℃; for 1h; Electrochemical reaction;

DOI:10.1039/d0cc07125k

upstream raw materials:

2-Aminobenzyl alcohol

phosgene

carbon monoxide

isatoic anhydride

Downstream raw materials:

2-Aminobenzyl alcohol

2-(2-oxo-4H-benzo[d][1,3]oxazin-1-yl)-acetamide

1-(4-chloro-benzoyl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one

6-chloro-1-methyl-4-phenyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one