3-(4-Bromophenyl)isoxazol-5-amine

Base Information

• Chemical Name: 3-(4-Bromophenyl)isoxazol-5-amine
• CAS No.: 119162-53-7
• Molecular Formula: C9H7 Br N2 O
• Molecular Weight: 239.071
• Hs Code.: 2934999090
• European Community (EC) Number: 839-375-8
• DSSTox Substance ID: DTXSID10409742
• Nikkaji Number: J1.501.556J
• Wikidata: Q82215688
• Mol file: 119162-53-7.mol

Synonyms:119162-53-7;3-(4-Bromophenyl)isoxazol-5-amine;3-(4-bromophenyl)-1,2-oxazol-5-amine;3-(4-Bromophenyl)-5-isoxazolamine;3-(4-BROMO-PHENYL)ISOXAZOL-5-YLAMINE;5-Amino-3-(4-bromophenyl)isoxazole;MFCD06199354;5-Isoxazolamine, 3-(4-bromophenyl)-;ChemDiv2_002950;SINOVASL-02580;SCHEMBL2159925;DTXSID10409742;HMS1377G02;3-(4-bromophenyl)-isoxazole-5-amine;AKOS000261609;AM804370;SY012482;CS-0205910;EN300-1073090;2Z-0824;A892639;SR-01000097782;SR-01000097782-1;F1984-0146;Z335439006

Chemical Property of 3-(4-Bromophenyl)isoxazol-5-amine

Chemical Property:

• Melting Point: 160-163°
• PSA: 52.05000
• LogP: 3.26750
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 237.97418
• Heavy Atom Count: 13
• Complexity: 171

Purity/Quality:

97% ^*data from raw suppliers

3-(4-Bromo-phenyl)isoxazol-5-ylAmine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NOC(=C2)N)Br

Technology Process of 3-(4-Bromophenyl)isoxazol-5-amine

There total 3 articles about 3-(4-Bromophenyl)isoxazol-5-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: 80.0%

potassium cyanide (151-50-8) + anti-α,4'-dibromoacetophenone oxime (71426-51-2) → 3-(4-bromophenyl)-1,2-oxazol-5-amine (119162-53-7)

Guidance literature:

In methanol; at 20 ℃; for 0.5h;

Reference yield: 73.0%

3-(4-bromophenyl)-3-oxopropanenitrile (4592-94-3) → 3-(4-bromophenyl)-1,2-oxazol-5-amine (119162-53-7)

Guidance literature:

With hydrazine hydrochloride; sodium acetate; In methanol; at 24 ℃;

Reference yield: 51.0%

(E)-3-(4-Bromo-phenyl)-2-chloro-acrylonitrile → 3-(4-bromophenyl)-1,2-oxazol-5-amine (119162-53-7) + 3-amino-5-(4-bromophenyl)isoxazole (6525-98-0)

Guidance literature:

With potassium hydroxide; hydroxylamine hydrochloride; In ethanol; water; for 4h; Heating;

DOI:10.1007/s11172-006-0029-1

upstream raw materials:

potassium cyanide

anti-α,4'-dibromoacetophenone oxime

3-(4-bromophenyl)-3-oxopropanenitrile

Downstream raw materials:

4-(4-bromophenyl)-1,2,5-thiadiazole-3-carboxamide

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