5-Phenylisoxazole-3-carbaldehyde

Base Information

• Chemical Name: 5-Phenylisoxazole-3-carbaldehyde
• CAS No.: 59985-82-9
• Molecular Formula: C10H7 N O2
• Molecular Weight: 173.171
• Hs Code.: 2934999090
• European Community (EC) Number: 625-322-4
• DSSTox Substance ID: DTXSID50428295
• Nikkaji Number: J1.280.772D
• Wikidata: Q82241115
• Mol file: 59985-82-9.mol

Synonyms:5-phenylisoxazole-3-carbaldehyde;59985-82-9;5-phenyl-1,2-oxazole-3-carbaldehyde;5-Phenylisoxazole-3-carboxaldehyde;3-Isoxazolecarboxaldehyde, 5-phenyl-;SCHEMBL189929;DTXSID50428295;QRHAQXZGSWFBOK-UHFFFAOYSA-N;MFCD06798102;STL414834;AKOS005169213;GS-5468;5-Phenylisoxazole-3-carboxaldehyde, 97%;BB 0262070;CS-0060506;FT-0683801;EN300-232417;H10569;A869073;J-517922;Z1255489785

Chemical Property of 5-Phenylisoxazole-3-carbaldehyde

Chemical Property:

• Vapor Pressure: 2.06E-05mmHg at 25°C
• Melting Point: 58-62oC(lit.)
• Boiling Point: 361.5oC at 760 mmHg
• Flash Point: 172.4oC
• PSA: 43.10000
• Density: 1.216g/cm3
• LogP: 2.15410
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 173.047678466
• Heavy Atom Count: 13
• Complexity: 178

Purity/Quality:

97% ^*data from raw suppliers

5-Phenylisoxazole-3-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38-42/43
• Safety Statements: 26-36-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC(=NO2)C=O

Technology Process of 5-Phenylisoxazole-3-carbaldehyde

There total 11 articles about 5-Phenylisoxazole-3-carbaldehyde 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: 64.0%

(5-phenylisoxazol-3-yl)methanol (1619-37-0) → 5-phenylisoxazole-3-carbaldehyde (59985-82-9)

Guidance literature:

With manganese(IV) oxide; In chloroform; at 20 ℃; for 24h; Cooling with ice;

DOI:10.1002/ardp.201100345

Reference yield: 48.0%

methyl 5-phenylisoxazole-3-carboxylate (51677-09-9) → 5-phenylisoxazole-3-carbaldehyde (59985-82-9)

Guidance literature:

With diisobutylaluminium hydride; In dichloromethane; toluene; at -60 ℃; for 1h;

DOI:10.1021/jm9800853

Reference yield:

C18H16N2O4S → 5-phenylisoxazole-3-carbaldehyde (59985-82-9)

Guidance literature:

With diisobutylaluminium hydride; at -78 ℃; for 12h;

DOI:10.3762/bjoc.11.138

upstream raw materials:

5-phenyl-isoxazole-3-carbaldehyde oxime

(5-phenylisoxazol-3-yl)methanol

methyl 5-phenylisoxazole-3-carboxylate

acetophenone

Downstream raw materials:

3-{[1-(5-Phenyl-isoxazol-3-yl)-meth-(Z)-ylidene]-amino}-propionic acid ethyl ester

6-{[1-(5-Phenyl-isoxazol-3-yl)-meth-(Z)-ylidene]-amino}-hexanoic acid ethyl ester

{[1-(5-Phenyl-isoxazol-3-yl)-meth-(Z)-ylidene]-amino}-acetic acid ethyl ester

methyl 5-cyano-2-[(E)-2-(5-phenylisoxazol-3-yl)ethenyl]benzoate