2-Hydrazino-1,3-benzoxazole

Base Information

• Chemical Name: 2-Hydrazino-1,3-benzoxazole
• CAS No.: 15062-88-1
• Molecular Formula: C7H7N3O
• Molecular Weight: 149.152
• Hs Code.: 2934999090
• European Community (EC) Number: 654-885-9
• NSC Number: 193633
• DSSTox Substance ID: DTXSID10307653
• Nikkaji Number: J2.342.249B
• ChEMBL ID: CHEMBL1987847
• Mol file: 15062-88-1.mol

Synonyms:2-hydrazino-1,3-benzoxazole;15062-88-1;1,3-benzoxazol-2-ylhydrazine;2-hydrazinyl-1,3-benzoxazole;2-hydrazinylbenzo[d]oxazole;BENZOOXAZOL-2-YL-HYDRAZINE;2-HYDRAZINOBENZOXAZOLE;MFCD00085913;HYDRAZINO-1,3-BENZOXAZOLE;hydrazono benzoxazole;NSC193633;Enamine_001604;Oprea1_206919;Oprea1_712943;SCHEMBL1163272;CHEMBL1987847;DTXSID10307653;QITJGSMHKVXOFR-UHFFFAOYSA-N;HMS1398I20;1-(benzo[d]oxazol-2-yl)hydrazine;BENZOXAZOLE, 2-HYDRAZINYL-;STK501164;AKOS000265004;AKOS028112897;AA-0922;AB03197;NSC-193633;NCI60_001618;CS-0155906;FT-0612508;EN300-03734;A21612;F10429;J-509589;Z56801289;F0896-0066

Chemical Property of 2-Hydrazino-1,3-benzoxazole

Chemical Property:

• Appearance/Colour: white
• Vapor Pressure: 0.00135mmHg at 25°C
• Melting Point: 151-153oC
• Refractive Index: 1.743
• Boiling Point: 297.4 °C at 760 mmHg
• Flash Point: 133.7 °C
• PSA: 64.08000
• Density: 1.404 g/cm³
• LogP: 1.88670
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• Solubility.: Chloroform (Slightly), DMSO (Sparingly), Methanol (Slightly)
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 149.058911855
• Heavy Atom Count: 11
• Complexity: 142

Purity/Quality:

99.5% ^*data from raw suppliers

2-Hydrazino-1,3-benzoxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(O2)NN

Technology Process of 2-Hydrazino-1,3-benzoxazole

There total 8 articles about 2-Hydrazino-1,3-benzoxazole 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: 87.9%

2-chloro-1,3-benzoxazole (615-18-9) → 2-hydrazino-1,3-benzoxazole (15062-88-1)

Guidance literature:

With hydrazine hydrate; at 20 ℃; for 0.5h;

DOI:10.1002/hc.1024

Reference yield:

2-sulfanyl-1,3-benzoxazole (2382-96-9,118090-08-7) → 2-hydrazino-1,3-benzoxazole (15062-88-1)

Guidance literature:

With potassium permanganate; potassium carbonate; hydrazine hydrate; Multistep reaction; 1) H₂O, 2) H₂O, heating, 8 h;

DOI:10.1002/ardp.19973300603

Reference yield:

2-amino-phenol (95-55-6) → 2-hydrazino-1,3-benzoxazole (15062-88-1)

Guidance literature:

Multi-step reaction with 3 steps

1: ethanol / Heating

2: phosphorus pentachloride / benzene / 2 h / Heating

3: hydrazine hydrate / dioxane / 0.5 h / Ambient temperature

With phosphorus pentachloride; hydrazine hydrate; In 1,4-dioxane; ethanol; benzene;

DOI:10.1021/jm00117a010

upstream raw materials:

2-chloro-1,3-benzoxazole

benzoxazole-2-sulfonic acid

benzooxazole-2-sulfonic acid; potassium salt

2-sulfanyl-1,3-benzoxazole

Downstream raw materials:

3-(Benzooxazol-2-ylamino)-5-[1-(4-hydroxy-3-methoxy-phenyl)-meth-(Z)-ylidene]-2-phenyl-3,5-dihydro-imidazol-4-one

3-(Benzooxazol-2-ylamino)-2-phenyl-5-[1-phenyl-meth-(Z)-ylidene]-3,5-dihydro-imidazol-4-one

3-(Benzooxazol-2-ylamino)-5-[1-(4-hydroxy-phenyl)-meth-(Z)-ylidene]-2-phenyl-3,5-dihydro-imidazol-4-one

3-(Benzooxazol-2-ylamino)-5-[1-(2-chloro-phenyl)-meth-(Z)-ylidene]-2-phenyl-3,5-dihydro-imidazol-4-one

Refernces

• 1、 -. "CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF". Paragraph 1179. . Retrieved 2018/04/17.
• 2、 -. "POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, AND OPTICALLY ANISOTROPIC MATERIAL". Paragraph 0181. . Retrieved 2014/03/25.