CHEMBRDG-BB 4010205

Base Information

• Chemical Name: CHEMBRDG-BB 4010205
• CAS No.: 4320-84-7
• Molecular Formula: C10H10N2O
• Molecular Weight: 174.202
• Hs Code.: 2934999090
• Mol file: 4320-84-7.mol

Synonyms:CHEMBRDG-BB 4010205;4-METHYL-3-PHENYLISOXAZOL-5-AMINE;UKRORGSYN-BB BBV-5113468;4-methyl-3-phenylisoxazol-5-amine(SALTDATA: FREE)

Chemical Property of CHEMBRDG-BB 4010205

Chemical Property:

• Vapor Pressure: 3.44E-05mmHg at 25°C
• Melting Point: 88-92 °C
• Boiling Point: 354.1°C at 760 mmHg
• PKA: -1.43±0.50(Predicted)
• Flash Point: 167.9°C
• PSA: 52.05000
• Density: 1.166g/cm³
• LogP: 2.81340

Purity/Quality:

98% ^*data from raw suppliers

4-methyl-3-phenylisoxazol-5-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of CHEMBRDG-BB 4010205

There total 5 articles about CHEMBRDG-BB 4010205 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: 89.0%

phenylhydroxamoyl chloride (934-16-7) + propiononitrile (107-12-0) → 5-amino-4-methyl-3-phenylisoxazole (4320-84-7)

Guidance literature:

With tert.-butyl lithium; In tetrahydrofuran; n-heptane; at -78 ℃; for 0.5h;

DOI:10.1021/ol061260+

Reference yield: 77.0%

propiononitrile (107-12-0) + benzohydroximoyl chloride (81745-44-0) → 5-amino-4-methyl-3-phenylisoxazole (4320-84-7)

Guidance literature:

With tert.-butyl lithium; In tetrahydrofuran; at -78 - 20 ℃; for 0.833333h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.8b01106

Reference yield: 65.0%

2-methyl-3-oxo-3-phenylpropanenitrile (7391-29-9) → 5-amino-4-methyl-3-phenylisoxazole (4320-84-7)

Guidance literature:

With hydroxylamine hydrochloride; sodium acetate; In methanol; at 20 ℃; Inert atmosphere;

DOI:10.1021/acs.orglett.8b00971

upstream raw materials:

3-amino-2-methyl-3-phenyl-acrylonitrile

phenylhydroxamoyl chloride

propiononitrile

2-methyl-3-oxo-3-phenylpropanenitrile

Downstream raw materials:

2-methyl-3-phenyl-2H-azirine-2-N-methylcarboxamide

2-methyl-3-(p-tolyl)-2H-azirine-2-carboxamide

2-Methyl-3-phenyl-2H-azirine-2-carboxylic acid dibenzylamide

Dibenzyl-(4-methyl-3-phenyl-isoxazol-5-yl)-amine