ETHYL 2-CHLOROOXAZOLE-4-CARBOXYLATE
- Product Name
- ETHYL 2-CHLOROOXAZOLE-4-CARBOXYLATE
- CAS No.
- 460081-18-9
- Chemical Name
- ETHYL 2-CHLOROOXAZOLE-4-CARBOXYLATE
- Synonyms
- CAS:460081-18-9;Ethyl 2-chlorooxazole-4-c...;ETHYL 2-CHLOROOXAZOLE-4-CARBOXYLATE;2-CHLOROOXAZOLE-4-CARBOXYLIC ACID ETHYL;Ethyl 2-chloro-1,3-oxazole-4-carboxylate;2-CHLOROOXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER;4-Oxazolecarboxylic acid, 2-chloro-, ethyl ester;2-Chloro-1,3-Oxazole-4-Carboxylic Acid Ethylester;4-Oxazolecarboxylicacid,2-chloro-,ethylester(9CI);2-chloro-1,3-Oxozole-4-carboxylic acid ethyl ester
- CBNumber
- CB9737655
- Molecular Formula
- C6H6ClNO3
- Formula Weight
- 175.57
- MOL File
- 460081-18-9.mol
ETHYL 2-CHLOROOXAZOLE-4-CARBOXYLATE Property
- Melting point:
- 97-98℃
- Boiling point:
- 254.1±32.0 °C(Predicted)
- Density
- 1.332±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Store in freezer, under -20°C
- pka
- -3.20±0.10(Predicted)
- Appearance
- White to pink Solid
- InChI
- InChI=1S/C6H6ClNO3/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3
- InChIKey
- SYWQOPRAPDMWMC-UHFFFAOYSA-N
- SMILES
- O1C=C(C(OCC)=O)N=C1Cl
- CAS DataBase Reference
- 460081-18-9(CAS DataBase Reference)
Safety
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2934999090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405Store locked up.
N-Bromosuccinimide Price
- Product number
- E903623
- Product name
- Ethyl 2-chlorooxazole-4-carboxylate
- Packaging
- 250mg
- Price
- $55
- Updated
- 2021/12/16
- Product number
- 4H23-5-W5
- Product name
- Ethyl 2-chloro-1,3-oxazole-4-carboxylate
- Packaging
- 1g
- Price
- $56
- Updated
- 2021/12/16
- Product number
- HCH0419858
- Product name
- 2-CHLOROOXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
- Purity
- 95.00%
- Packaging
- 250MG
- Price
- $642.99
- Updated
- 2021/12/16
- Product number
- HCH0419858
- Product name
- 2-CHLOROOXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
- Purity
- 95.00%
- Packaging
- 2.5G
- Price
- $1363.65
- Updated
- 2021/12/16
- Product number
- OR2874
- Product name
- Ethyl2-chloro-1,3-oxazole-4-carboxylate
- Purity
- 95%
- Packaging
- 1g
- Price
- $51
- Updated
- 2021/12/16
ETHYL 2-CHLOROOXAZOLE-4-CARBOXYLATE Chemical Properties,Usage,Production
Synthesis
177760-52-0
460081-18-9
Under nitrogen protection, 1.70 mL (14.3 mmol) of tert-butyl nitrite was added dropwise to a suspension of 1.65 g (12.3 mmol) cuprous(I) chloride in 50 mL of acetonitrile. The reaction mixture was heated to 75 °C, followed by the addition of 1.60 g (10.2 mmol) of ethyl 2-aminooxazole-4-carboxylate in batches over 20 min (Ref: G Crank MJ Foulis, J Med Chem 1971,14:1075-1077). Gases were released during the reaction. After continued stirring for 30 min, the reaction mixture was cooled to room temperature, diluted with 50 mL of ethyl acetate and washed with water (2 x 25 mL). The organic layer was dried over anhydrous magnesium sulfate and concentrated under reduced pressure to give a dark oily solid. Purification by neutral silica gel column chromatography using a solvent mixture of hexane and ethyl acetate (3:1) afforded 1.27 g (71% yield) of the target compound, ethyl 2-chloroxazole-4-carboxylate, as white needle-like crystals (recrystallized from hexane). Mass spectrum (electrospray positive ion mode): m/z 176/177 [M+H]+. 1H NMR (CDCl3) δ: 1.47 (t, 3H, J = 7.16 Hz); 4.48 (q, 2H, J = 7.16 Hz); 8.28 (s, 1H).
References
[1] Organic Letters, 2003, vol. 5, # 16, p. 2911 - 2914
[2] Organic Letters, 2002, vol. 4, # 17, p. 2905 - 2907
[3] European Journal of Medicinal Chemistry, 2019, p. 80 - 108
[4] Patent: WO2005/26149, 2005, A1. Location in patent: Page/Page column 111
[5] Journal of Medicinal Chemistry, 2010, vol. 53, # 9, p. 3814 - 3830
ETHYL 2-CHLOROOXAZOLE-4-CARBOXYLATE Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from ETHYL 2-CHLOROOXAZOLE-4-CARBOXYLATE manufacturers
- Product
- Ethyl 2-chlorooxazole-4-carboxylate 460081-18-9
- Price
- US $1.10-9.90/KG
- Min. Order
- 1KG
- Purity
- 99% min
- Supply Ability
- 100kg
- Release date
- 2025-08-18
- Product
- ETHYL 2-CHLOROOXAZOLE-4-CARBOXYLATE 460081-18-9
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 100KG
- Release date
- 2018-08-20