5-Aminobenzo[d]oxazol-2(3H)-one

Base Information

• Chemical Name: 5-Aminobenzo[d]oxazol-2(3H)-one
• CAS No.: 14733-77-8
• Molecular Formula: C7H6 N2 O2
• Molecular Weight: 150.137
• Hs Code.: 2934999090
• European Community (EC) Number: 812-058-1
• NSC Number: 24965
• DSSTox Substance ID: DTXSID80163682
• Nikkaji Number: J41.874I
• Wikidata: Q83032664
• Mol file: 14733-77-8.mol

Synonyms:14733-77-8;5-Aminobenzo[d]oxazol-2(3H)-one;2(3H)-Benzoxazolone, 5-amino-;5-amino-1,3-benzoxazol-2(3H)-one;5-amino-3H-1,3-benzoxazol-2-one;5-amino-2,3-dihydro-1,3-benzoxazol-2-one;5-Aminobenzoxazolone;5-Amino-2-benzoxazolinone;5-Amino-2-benzoxazolone;2-BENZOXAZOLINONE, 5-AMINO-;5-amino-2(3H)-benzoxazolone;2(3H)-Benzoxazolone,5-amino-(9CI);MFCD00474884;NSC 24965;5-Aminobenzoxazolin-2-one;BRN 0137913;2(3H)-Benzoxazolone,5-amino-;4-27-00-05607 (Beilstein Handbook Reference);NSC24965;5-amino-2benzoxazolone;Oprea1_299896;Oprea1_694515;5-Aminobenzo[d]oxazol-2-ol;WLN: T56 BMVOJ HZ;5-Amino-2(3H)benzoxazolone;SCHEMBL221802;5-amino-3H-benzoxazol-2-one;5-Aminobenzoxazol-2(3H)-one;5-amino-3H-benzoxazole-2-one;5-Amino-3H-benzooxazol-2-one;DTXSID80163682;5-Amino-2-hydroxybenzo[d]oxazole;NSC-24965;AKOS001043600;AKOS008967011;BS-13474;LS-42258;SY043261;CS-0131614;EN300-31161;5-Amino-1,3-benzoxazol-2(3H)-one, AldrichCPR;A850252;J-008346;Z56944506;5-aminobenzo[d]oxazol-2(3H)-one;5-Amino-2,3-dihydro-1,3-benzoxazol-2-one

Chemical Property of 5-Aminobenzo[d]oxazol-2(3H)-one

Chemical Property:

• Melting Point: 206-208 °C
• Boiling Point: °Cat760mmHg
• PKA: 9.07±0.70(Predicted)
• Flash Point: °C
• PSA: 72.02000
• Density: 1.438g/cm³
• LogP: 1.28450
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 150.042927438
• Heavy Atom Count: 11
• Complexity: 183

Purity/Quality:

97% ^*data from raw suppliers

5-Amino-2(3h)-Benzoxazolone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1N)NC(=O)O2
• Uses: 5-Amino-2(3h)-Benzoxazolone is used in preparation of Pyridazinone derivatives as Nav1.1 activator.

Technology Process of 5-Aminobenzo[d]oxazol-2(3H)-one

There total 6 articles about 5-Aminobenzo[d]oxazol-2(3H)-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: 100.0%

5-nitro-3H-benzooxazol-2-one (3889-13-2) → 5-amino-2-benzoxazolinone (14733-77-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In tetrahydrofuran; methanol; for 6h;

Reference yield:

2-hydroxy-5-nitroaniline (99-57-0) → 5-amino-2-benzoxazolinone (14733-77-8)

Guidance literature:

Multi-step reaction with 3 steps

1: (i) MeOH, (ii) H₂O

2: H₂ / Pd-C / methanol / Ambient temperature

3: aq. HCl / Heating

With hydrogenchloride; hydrogen; palladium on activated charcoal; In methanol;

DOI:10.1002/jps.2600530518

Reference yield:

5-nitro-benzooxazol-2-ylamine (64037-16-7) → 5-amino-2-benzoxazolinone (14733-77-8)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Pd-C / methanol / Ambient temperature

2: aq. HCl / Heating

With hydrogenchloride; hydrogen; palladium on activated charcoal; In methanol;

DOI:10.1002/jps.2600530518

upstream raw materials:

5-nitro-3H-benzooxazol-2-one

benzooxazole-2,5-diamine

5-nitro-benzooxazol-2-ylamine

2-hydroxy-5-nitroaniline

Downstream raw materials:

5-bromo-1,3-benzoxazol-2(3H)-one

3-oxo-N-(2-oxo-2,3-dihydro-benzooxazol-5-yl)-3-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-propionamide

2-chloro-5-methyl-N₄-(2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)-4-pyrimidineamine

5-((2-((4-fluoro-3-methoxy-5-methylphenyl)amino)-5-methylpyrimidin-4-yl)amino)benzo[d]oxazol-2(3H)-one