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

Base Information

• Chemical Name: 2-amino-4H-3,1-benzoxazin-4-one
• CAS No.: 15607-11-1
• Molecular Formula: C8H6 N2 O2
• Molecular Weight: 162.148
• Hs Code.: 2934999090
• European Community (EC) Number: 835-827-3
• DSSTox Substance ID: DTXSID60431437
• Nikkaji Number: J272.851F
• Wikidata: Q82245311
• ChEMBL ID: CHEMBL268763
• Mol file: 15607-11-1.mol

Synonyms:2-amino-4H-3,1-benzoxazin-4-one;15607-11-1;2-amino-4h-benzo[d][1,3]oxazin-4-one;2-AMINO-3,1-BENZOXAZIN-4-ONE;CHEMBL268763;SCHEMBL2367774;DTXSID60431437;BDBM50063716;AKOS006287430;2-Amino-benzo[d][1,3]oxazin-4-one;CS-0257714;EN300-6760086;Z1198176566

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

Chemical Property:

• PSA: 69.12000
• LogP: 1.35140
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 162.042927438
• Heavy Atom Count: 12
• Complexity: 237

Purity/Quality:

97% ^*data from raw suppliers

2-AMINO-4H-3,1-BENZOXAZIN-4-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)OC(=N2)N

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

There total 3 articles about 2-amino-4H-3,1-benzoxazin-4-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: 93.0%

N-carbamoylanthranilic acid methyl ester (2242-77-5) → 2-amino-4H-3,1-benzoxazin-4-one (15607-11-1)

Guidance literature:

With sulfuric acid; for 0.333333h;

Reference yield:

→ 1,2-Dihydro-2-imino-4H-3,1-benzoxazin-4-on (15607-11-1)

Guidance literature:

Anthranilsaeure, Bromcyan, wss. NaOH;

DOI:10.1007/BF00908807

Reference yield:

→ 2-amino-4H-3,1-benzoxazin-4-one (15607-11-1)

Guidance literature:

DOI:10.1021/jo00421a003 DOI:10.1021/ja00725a032

upstream raw materials:

N-carbamoylanthranilic acid methyl ester

Downstream raw materials:

1-(2,2-dicyano-1-hydroxyvinyl)-2-ureidobenzene

4-(2,4-dioxo-1,4-dihydro-2H-quinazolin-3-yl)-N-thiazol-2-yl-benzenesulfonamide

quinazolin-2(1H)-one hydrochloride

1-carbamoylbenzimidazol-2-one