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3,5-Dimethylisoxazole

Product Name
3,5-Dimethylisoxazole
CAS No.
300-87-8
Chemical Name
3,5-Dimethylisoxazole
Synonyms
Isoxazole, 3,5-dimethyl-;u21221;U 21221;3,5-DISO;Dimexazol;Dimexaxol;AKOS BBS-00006705;3,5-dimethyl-isoxazol;3,5-DIMETHYLISOXAZOLE;3,5-DIMETHOXYISOXAZOLE
CBNumber
CB5477056
Molecular Formula
C5H7NO
Formula Weight
97.12
MOL File
300-87-8.mol
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3,5-Dimethylisoxazole Property

Melting point:
-14℃
Boiling point:
142-144 °C(lit.)
Density 
0.99 g/mL at 25 °C(lit.)
refractive index 
n20/D 1.442(lit.)
Flash point:
88 °F
storage temp. 
Inert atmosphere,Room Temperature
solubility 
50.9g/l
pka
-1.35±0.28(Predicted)
form 
clear liquid
Specific Gravity
0.99
color 
Colorless to Light yellow to Light orange
PH
4.5 (10g/l, H2O, 20℃)
Water Solubility 
insoluble
BRN 
106324
InChIKey
FICAQKBMCKEFDI-UHFFFAOYSA-N
LogP
1.431 (est)
CAS DataBase Reference
300-87-8(CAS DataBase Reference)
NIST Chemistry Reference
Isoxazole, 3,5-dimethyl-(300-87-8)
EPA Substance Registry System
Isoxazole, 3,5-dimethyl- (300-87-8)
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Safety

Hazard Codes 
Xn
Risk Statements 
10-20/21/22
Safety Statements 
16-36
RIDADR 
UN 1993 3/PG 3
WGK Germany 
3
RTECS 
NY2774200
TSCA 
Yes
HazardClass 
3
PackingGroup 
III
HS Code 
29349990
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H226Flammable liquid and vapour

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P233Keep container tightly closed.

P240Ground/bond container and receiving equipment.

P241Use explosion-proof electrical/ventilating/lighting/…/equipment.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P370+P378In case of fire: Use … for extinction.

P403+P235Store in a well-ventilated place. Keep cool.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
D167509
Product name
3,5-Dimethylisoxazole
Purity
98%
Packaging
25ml
Price
$29.55
Updated
2025/07/31
TCI Chemical
Product number
D1767
Product name
3,5-Dimethylisoxazole
Purity
>99.0%(GC)
Packaging
25mL
Price
$31
Updated
2025/07/31
TCI Chemical
Product number
D1767
Product name
3,5-Dimethylisoxazole
Purity
>99.0%(GC)
Packaging
250mL
Price
$158
Updated
2025/07/31
TRC
Product number
D477203
Product name
3,5-Dimethylisoxazole
Packaging
5mL
Price
$60
Updated
2021/12/16
AK Scientific
Product number
X3067
Product name
3,5-Dimethylisoxazole
Packaging
100mL
Price
$81
Updated
2021/12/16
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3,5-Dimethylisoxazole Chemical Properties,Usage,Production

Chemical Properties

clear colourless to pale yellow liquid

Uses

The optimization of 3,5-dimethylisoxazole derivatives to develop potent inhibitors of the BET (bromodomain and extra terminal domain) bromodomain family with good ligand efficiency. It has hypoglycemic activity.

Application

3,5-dimethylisoxazole is an organic intermediate used in the preparation of 4-(chloromethyl)-3,5-dimethylisoxazole.

Preparation

3,5-Dimethylisozole can be synthesized from acetylacetone and hydroxylamine hydrochloride in one step off ring.

Synthesis

123-54-6

300-87-8

General procedure for the synthesis of 3,5-dimethylisoxazole from acetylacetone: To a solution of hydroxylamine hydrochloride (8.34 g, 0.12 mol) in water (10 ml) was slowly added a solution of 2,4-pentanedione (6) (10.2 g, 0.1 mol) in ethanol (10 ml). The reaction mixture was heated to reflux at set temperature for 3 hrs and subsequently cooled to room temperature and slowly poured into cold water (60 ml). The mixture was extracted using ether (3 x 40 ml). All the organic layers were combined and dried with anhydrous sodium sulfate (Na2SO4) followed by evaporation under reduced pressure to remove the solvent to give a brown oily residue. The residue was purified by reduced pressure distillation to afford 3,5-dimethylisoxazole (5) (8.10 g, 82% yield) as a colorless liquid (boiling point 85-86°C, pressure 150 mmHg). The product was characterized by infrared spectroscopy (IR, thin-film method) and the main absorption peaks were: 3132, 2934, 1611, 1455, 1414, 1258, 1011, 886, 795 cm-1. The data of nuclear magnetic resonance hydrogen spectroscopy (1H NMR, CDCl3, 400 MHz) were as follows: δ 5.82 (1H, single peak, H-4), 2.36 (3H, single peak , C=CCH3), 2.23 (3H, single peak, N=CCH3). The nuclear magnetic resonance carbon spectrum (13C NMR, CDCl3) data were as follows: δ 11.3, 12.1, 102.3, 159.9, 169.1.

References

[1] Organic Process Research and Development, 2015, vol. 19, # 9, p. 1274 - 1281
[2] Oriental Journal of Chemistry, 2016, vol. 32, # 1, p. 127 - 135
[3] Beilstein Journal of Organic Chemistry, 2011, vol. 7, p. 127 - 134
[4] Chemical Communications, 2013, vol. 49, # 81, p. 9329 - 9331
[5] Angewandte Chemie - International Edition, 2017, vol. 56, # 4, p. 1026 - 1030

3,5-Dimethylisoxazole Preparation Products And Raw materials

Raw materials

Preparation Products

3,5-Dimethylisoxazole-4-boronic acid 3,5-DIMETHYL-4-ISOXAZOLECARBALDEHYDE 3,5-DIMETHYLISOXAZOL-4-YL ISOCYANATE 3,5-DIMETHYL-4-NITROISOXAZOLE 3,5-DIMETHYLISOXAZOLE-4-SULFONYL CHLORIDE 4-(CHLOROMETHYL)-3,5-DIMETHYLISOXAZOLE 3,5-DIMETHYL-ISOXAZOL-4-YLAMINE HYDROCHLORIDE
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3,5-Dimethylisoxazole Suppliers

Americas 1 Austria 1 Belgium 2 China 199 Europe 3 Germany 7 India 14 Japan 3 Slovakia 1 Switzerland 1 Ukraine 1 United Kingdom 9 United States 31 USA 1 Global 274
Changzhou shuicao chemical Nes material Industry?Co.,Ltd.
Tel
0519-86609972; 13861152845
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987349505@qq.com
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China
ProdList
84
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Nanjing Habo Medical Technology Co., Ltd.
Tel
025-85760892 13376080562
Fax
025-85766769
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sales@habotech.com
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China
ProdList
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J & K SCIENTIFIC LTD.
Tel
18210857532; 18210857532
Fax
86-10-82849933
Email
jkinfo@jkchemical.com
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China
ProdList
96815
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76
Meryer (Shanghai) Chemical Technology Co., Ltd.
Tel
4006356688 18621169109
Fax
86-21-61259102
Email
market03@meryer.com
Country
China
ProdList
40228
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62
Alfa Aesar
Tel
400-6106006
Fax
021-67582001/03/05
Email
saleschina@alfa-asia.com
Country
China
ProdList
30123
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TCI (Shanghai) Development Co., Ltd.
Tel
021-67121386
Fax
021-67121385
Email
Sales-CN@TCIchemicals.com
Country
China
ProdList
24529
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81
Energy Chemical
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021-021-58432009 400-005-6266
Fax
021-58436166
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sales8178@energy-chemical.com
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China
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Wuhan Chemwish Technology Co., Ltd
Tel
86-027-67849912
Fax
86-027-87531808
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sales@chemwish.com
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China
ProdList
35896
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Capot Chemical Co., Ltd
Tel
+86 (0) 571 85 58 67 18
Fax
0086-571-85864795
Country
China
ProdList
18207
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Beijing Ouhe Technology Co., Ltd
Tel
010-010-82967028 13522913783
Fax
+86-10-82967029
Email
2355560935@qq.com
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China
ProdList
12000
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View Lastest Price from 3,5-Dimethylisoxazole manufacturers

Hebei Chuanghai Biotechnology Co., Ltd
Product
3,5-Dimethylisoxazole 300-87-8
Price
US $30.00-10.00/KG
Min. Order
50KG
Purity
99%
Supply Ability
500000kg
Release date
2024-10-24
Hebei Yanxi Chemical Co., Ltd.
Product
3,5-Dimethylisoxazole 300-87-8
Price
US $0.00/kg
Min. Order
1kg
Purity
0.99
Supply Ability
20 tons
Release date
2023-11-28
Shaanxi Dideu Medichem Co. Ltd
Product
3,5-Dimethylisoxazole 300-87-8
Price
US $1.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
2000ton
Release date
2024-05-26

300-87-8, 3,5-DimethylisoxazoleRelated Search:

Dimethyl sulfoxide N,N-Dimethylformamide Dimethicone 1,3-Dimethylbarbituric acid Poly(dimethylsiloxane) N,N-Dimethylacetamide 3,5-Dimethylisoxazole-4-carboxylic acid ,98%,3,5-DIMETHYLISOXAZOLE-4-CARBOXYLIC ACID,3,5-DIMETHYLISOXAZOLE-4-CARBOXYLIC ACID, PURISS, 98% Methyl 5-methylisoxazole-3-carboxylate 3,5-Dimethylisoxazole-4-carbonyl chloride ,97%,3,5-Dimethylisoxazole-4-carbonylhloride,3,5-DIMETHYLISOXAZOLE-4-CARBONYL CHLORIDE Ethyl 3,5-dimethylisoxazole-4-carboxylate ,97%,3,5-Dimethylisoxazole-4-carboxylic acid ethyl ester 5-Methyl-3-phenylisoxazole-4-carboxylic acid 3-(CHLOROMETHYL)-5-(3,5-DIMETHYLISOXAZOL-4-YL)-1,2,4-OXADIAZOLE 3-(2-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride 4-(CHLOROMETHYL)-3,5-DIMETHYLISOXAZOLE ETHYL 3-ETHYL-5-METHYL-4-ISOXAZOLECARBOXYLATE 5-Methyl-3-phenylisoxazole-4-carbonyl chloride 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid 3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxylic acid

  • AKOS BBS-00006705
  • 3,5-DISO
  • 3,5-DIMETHYLISOXAZOLE
  • 3,5-DIMETHYLISOOXAZOLE
  • 3,5-DIMETHOXYISOXAZOLE
  • DIMETHYLISOXAZOLE(3,5-)
  • U 21221
  • u21221
  • 3,5-dimethyl-isoxazol
  • 3,5-Dwumetyloizoksazolu
  • 3,5-DIMETHYLISOXAZOLE, WACKER QUALITY
  • 3,5-Dimethylisoxazole, 98+%
  • Isoxazole, 3,5-dimethyl-
  • Dimexazol
  • Dimexaxol
  • 3,5-Dimethylisoxazole ,97%
  • 3,5-Dimethylisoxazole,99%
  • 3,5-DiMethylisoxazole, 99% 25GR
  • 3,5-DIMETHYLISOXAZOLE FOR SYNTHESIS
  • 3,5-Dimethylisoxazole&gt
  • 300-87-8
  • C5H7NO
  • Building Blocks
  • Heterocyclic Building Blocks
  • Isoxazoles
  • Building Blocks
  • Chemical Synthesis
  • Heterocyclic Building Blocks
  • API intermediates
  • Building Blocks
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