Cas no 81465-82-9 (3-(4-Fluorophenyl)isoxazol-5-amine)

3-(4-Fluorophenyl)isoxazol-5-amine structure

81465-82-9 structure

Product Name:3-(4-Fluorophenyl)isoxazol-5-amine

CAS No:81465-82-9

MF:C₉H₇FN₂O

MW:178.163085222244

MDL:MFCD03407398

CID:844241

PubChem ID:2060332

Update Time:2024-10-27

3-(4-Fluorophenyl)isoxazol-5-amine Chemical and Physical Properties

Names and Identifiers

- 3-(4-Fluorophenyl)isoxazol-5-amine
- 5-Amino-3-(4-fluorophenyl)isoxazole
- 3-(4-Fluoro-phenyl)-isoxazol-5-ylamine
- 3-(4-fluorophenyl)-1,2-oxazol-5-amine
- 3-(4-fluorophenyl)-5-isoxazolamine
- 3-(4-fluorophenyl)-isoxazole-5-amine
- 5-Isoxazolamine, 3-(4-fluorophenyl)-
- 3-(4-fluorophenyl)isoxazole-5-ylamine
- UUIDVOMRKXGYHN-UHFFFAOYSA-N
- SBB022240
- KM2082
- BBL104317
- STK313245
- 3-(4-Fluorophenyl)isoxazole-5-amine
- 5-Isoxazolamine
- 3-(4-Fluorophenyl)-5-isoxazolamine (ACI)
- 3-(4-Fluorophenyl)isoxazol-5-ylamine
- 3-(4-FLUOROPHENYL)-5-AMINOISOXAZOLE
- DTXSID90366162
- ALBB-021643
- A840135
- T71349
- SY012481
- 81465-82-9
- AKOS000117872
- MFCD03407398
- J-510707
- A2929
- CS-0085264
- DB-011682
- Z56979378
- SCHEMBL2159980
- EN300-10186
- NS-01520
- MDL： MFCD03407398
- Inchi： 1S/C9H7FN2O/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H,11H2
- InChI Key： UUIDVOMRKXGYHN-UHFFFAOYSA-N
- SMILES： FC1C=CC(C2C=C(N)ON=2)=CC=1

Computed Properties

Exact Mass: 178.05424101g/mol
Monoisotopic Mass: 178.05424101g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 4
Heavy Atom Count: 13
Rotatable Bond Count: 1
Complexity: 171
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Topological Polar Surface Area: 52
XLogP3: 1.8

Experimental Properties

Color/Form: No date available
Density: No date available
Melting Point: 100.0 to 104.0 deg-C
Boiling Point: No date available
Flash Point: 179.8℃
Sensitiveness: Light Sensitive
Vapor Pressure: No date available

3-(4-Fluorophenyl)isoxazol-5-amine Security Information

Symbol:
Prompt：warning
Signal Word：warning
Hazard Statement： H315-H319
Warning Statement： P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Safety Instruction： H303+H313+H333
Hazardous Material Identification：
Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

3-(4-Fluorophenyl)isoxazol-5-amine Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
SHANG HAI XIAN DING Biotechnology Co., Ltd.	A2929-200MG	3-(4-Fluorophenyl)isoxazol-5-amine	81465-82-9	95.0%(LC&N)	200MG	￥690.0	2022-07-28
SHANG HAI XIAN DING Biotechnology Co., Ltd.	A2929-1G	3-(4-Fluorophenyl)isoxazol-5-amine	81465-82-9	95.0%(LC&N)	1G	￥2990.0	2022-07-28
Fluorochem	030134-250mg	3-(4-Fluoro-phenyl)-isoxazol-5-ylamine	81465-82-9	95%	250mg	￡91.00	2022-03-01
Fluorochem	030134-1g	3-(4-Fluoro-phenyl)-isoxazol-5-ylamine	81465-82-9	95%	1g	￡181.00	2022-03-01
Fluorochem	030134-5g	3-(4-Fluoro-phenyl)-isoxazol-5-ylamine	81465-82-9	95%	5g	￡680.00	2022-03-01
TRC	B435045-100mg	3-(4-Fluorophenyl)isoxazol-5-amine	81465-82-9		100mg	$ 50.00	2022-06-07
TRC	B435045-500mg	3-(4-Fluorophenyl)isoxazol-5-amine	81465-82-9		500mg	$ 210.00	2022-06-07
TRC	B435045-1g	3-(4-Fluorophenyl)isoxazol-5-amine	81465-82-9		1g	$ 295.00	2022-06-07
Chemenu	CM190701-5g	3-(4-Fluorophenyl)isoxazol-5-amine	81465-82-9	95%	5g	$373	2021-08-05
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.	A868963-200mg	5-Amino-3-(4-fluorophenyl)isoxazole	81465-82-9	95%	200mg	1,196.00	2021-05-17

3-(4-Fluorophenyl)isoxazol-5-amine Production Method

Production Method 1

334709-76-1

81465-82-9

Reaction Conditions

1.1 Solvents: Methanol
1.2 Solvents: Methanol

Reference

A modified procedure for the synthesis of 5-amino-3-arylisoxazoles and their reactions with tetrasulfur tetranitride antimony(V) chloride complex (S4N4·SbCl5): novel synthesis of 3-aryl-1,2,5-thiadiazole-4-carboxamides

Kong, Yung Cheol; et al, Heterocycles, 2001, 55(1), 75-89

Production Method 2

451-46-7

81465-82-9

Reaction Conditions

1.1 Reagents: Sodium hydride Solvents: Tetrahydrofuran ; 0 °C; 3 - 5 h, 70 °C; 70 °C → 0 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ; neutralized
2.1 Reagents: Sodium acetate , Hydroxyamine hydrochloride Solvents: Methanol ; 1 h, rt
2.2 rt
2.3 Reagents: Water ; rt

Reference

N-heterocyclic carbene-catalyzed direct enantioselective synthesis of dihydroisoxazolo[5,4-b]pyridin-6-ones

Huang, Xiaoxia; et al, Organic Chemistry Frontiers, 2023, 10(4), 963-969

Production Method 3

4640-67-9

81465-82-9

Reaction Conditions

1.1 Reagents: Sodium acetate , Hydroxyamine hydrochloride Solvents: Methanol ; 1 h, rt
1.2 rt
1.3 Solvents: Water ; rt

Reference

Reactions of 5-Aminoisoxazoles with α-Diazocarbonyl Compounds: Wolff Rearrangement vs N-H Insertion

Ge, Yun; et al, Journal of Organic Chemistry, 2019, 84(5), 2676-2688

Production Method 4

4640-67-9

81465-82-9

Reaction Conditions

1.1 Reagents: Sodium acetate , Hydroxyamine hydrochloride Solvents: Methanol ; 1 h, rt
1.2 -
1.3 Reagents: Water

Reference

Hoveyda-Grubbs II Catalyst: A Useful Catalyst for One-Pot Visible-Light-Promoted Ring Contraction and Olefin Metathesis Reactions

Ge, Yun; et al, Organic Letters, 2018, 20(9), 2774-2777

Production Method 5

4640-67-9

81465-82-9

Reaction Conditions

1.1 Reagents: Sodium acetate , Hydroxyamine hydrochloride Solvents: Methanol ; 1 h, rt
1.2 rt
1.3 Reagents: Water ; rt

Reference

N-heterocyclic carbene-catalyzed direct enantioselective synthesis of dihydroisoxazolo[5,4-b]pyridin-6-ones

Huang, Xiaoxia; et al, Organic Chemistry Frontiers, 2023, 10(4), 963-969

3-(4-Fluorophenyl)isoxazol-5-amine Raw materials

3-(4-Fluorophenyl)isoxazol-5-amine Preparation Products

3-(4-Fluorophenyl)isoxazol-5-amine (81465-82-9)

3-(4-Fluorophenyl)isoxazol-5-amine Related Literature

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Cas no 81465-82-9 (3-(4-Fluorophenyl)isoxazol-5-amine)

3-(4-Fluorophenyl)isoxazol-5-amine Chemical and Physical Properties

Names and Identifiers

Computed Properties

Experimental Properties

3-(4-Fluorophenyl)isoxazol-5-amine Security Information

3-(4-Fluorophenyl)isoxazol-5-amine Pricemore >>

3-(4-Fluorophenyl)isoxazol-5-amine Production Method

Production Method 1

Production Method 2

Production Method 3

Production Method 4

Production Method 5

3-(4-Fluorophenyl)isoxazol-5-amine Raw materials

3-(4-Fluorophenyl)isoxazol-5-amine Preparation Products

3-(4-Fluorophenyl)isoxazol-5-amine Related Literature

81465-82-9 (3-(4-Fluorophenyl)isoxazol-5-amine) Related Products