4-Methoxy-1,2-benzoxazol-3-amine

Base Information

• Chemical Name: 4-Methoxy-1,2-benzoxazol-3-amine
• CAS No.: 177995-40-3
• Molecular Formula: C8H8N2O2
• Molecular Weight: 164.164
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90381537
• Nikkaji Number: J725.574H
• Wikidata: Q27456093
• ChEMBL ID: CHEMBL3775669
• Mol file: 177995-40-3.mol

Synonyms:177995-40-3;4-Methoxy-1,2-benzisoxazol-3-amine;4-methoxy-1,2-benzoxazol-3-amine;4-Methoxybenzo[d]isoxazol-3-amine;4-Methoxy-benzo[d]isoxazol-3-ylamine;4-Methoxybenzo[d]isoxazol-3-ylamine;3-Amino-4-methoxy-1,2-benzisoxazole;1,2-Benzisoxazol-3-amine, 4-methoxy-;5WX;Maybridge3_004235;SCHEMBL1781983;CHEMBL3775669;DTXSID90381537;YFNIGSJHKGKXEQ-UHFFFAOYSA-N;HMS1443A11;CHA99540;STR07132;CCG-45419;MFCD03407354;4-Methoxy-1,2-benzisoxazole-3-amine;4-Methoxy-1,2-benzisoxiazol-3-amine;AKOS006230040;PS-4423;SDCCGMLS-0066164.P001;IDI1_015622;(4-methoxy-benzo[d]isoxazol-3-yl)-amine;CS-0146446;FT-0618868;4-methoxy-1,2-benzisoxazol-3-amine, AldrichCPR;EN300-6454795;J-515657;SR-01000635186-1;Q27456093

Chemical Property of 4-Methoxy-1,2-benzoxazol-3-amine

Chemical Property:

• Vapor Pressure: 4.88E-05mmHg at 25°C
• Melting Point: 140 °C
• Refractive Index: 1.641
• Boiling Point: 348.9 °C at 760 mmHg
• Flash Point: 164.8 °C
• PSA: 61.28000
• Density: 1.304 g/cm³
• LogP: 1.99980
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 164.058577502
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

98%min ^*data from raw suppliers

4-Methoxy-1,2-benzisoxazol-3-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC2=C1C(=NO2)N

Technology Process of 4-Methoxy-1,2-benzoxazol-3-amine

There total 4 articles about 4-Methoxy-1,2-benzoxazol-3-amine 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: 94.0%

acetylhydroxamic acid (546-88-3) + 2-fluoro-6-methoxybenzonitrile (94088-46-7) → 4-methoxy-3-amino-1,2-benzisoxazole (177995-40-3)

Guidance literature:

With potassium tert-butylate; In N,N-dimethyl-formamide;

DOI:10.1016/0040-4039(96)00425-X

Reference yield: 23.0%

2-fluoro-6-methoxybenzonitrile (94088-46-7) → 4-methoxy-3-amino-1,2-benzisoxazole (177995-40-3)

Guidance literature:

With acetylhydroxamic acid; potassium tert-butylate; In DMF (N,N-dimethyl-formamide); at 20 - 60 ℃; for 16.6667h;

Reference yield:

C43H26F34N2O4 → bis(4-(3-(perfluorooctyl)propoxy)phenyl)methanone + 4-methoxy-3-amino-1,2-benzisoxazole (177995-40-3)

Guidance literature:

With hydrogenchloride; trifluoroacetic acid; In water; at 95 ℃; for 0.133333h; Microwave irradiation;

DOI:10.1039/c3gc36966h

upstream raw materials:

acetylhydroxamic acid

2-fluoro-6-methoxybenzonitrile

Downstream raw materials:

3-amino-4-hydroxy-1,2-benzisoxazole

4-(2-fluoro-4-nitrophenoxy)-1,2-benzisoxazol-3-amine

4-(4-amino-2-fluorophenoxy)-1,2-benzisoxazol-3-amine

Refernces

• 1、 -. "HETEROARYLOXY-SUBSTITUTED PHENYLAMINOPYRIMIDINES AS RHO-KINASE INHIBITORS". Page/Page column 57-58. . Retrieved 2010/02/06.