2,5-Dichlorobenzooxazole
- Product Name
- 2,5-Dichlorobenzooxazole
- CAS No.
- 3621-81-6
- Chemical Name
- 2,5-Dichlorobenzooxazole
- Synonyms
- 2,5-dichlorobenzo[d]oxazole;2,5-DICHLOROBENZOXAZOLE;2,5-Dichlorobenzooxazole;Benzoxazole, 2,5-dichloro-;2,5-Dichlorobenzooxazole (For suvorexant);2,5-dichloro-1,3-benzoxazole(SALTDATA: FREE);Benzoxazole, 2,5-dichloro- (6CI,7CI,8CI,9CI)
- CBNumber
- CB61013157
- Molecular Formula
- C7H3Cl2NO
- Formula Weight
- 188.01
- MOL File
- 3621-81-6.mol
2,5-Dichlorobenzooxazole Property
- Melting point:
- 44-46 °C
- Boiling point:
- 130-133 °C(Press: 25 Torr)
- Density
- 1.522±0.06 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -1.40±0.10(Predicted)
- Appearance
- White to yellow <44°C Solid,>46°C Liquid
- InChI
- InChI=1S/C7H3Cl2NO/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H
- InChIKey
- JOXBFDPBVQGJOJ-UHFFFAOYSA-N
- SMILES
- O1C2=CC=C(Cl)C=C2N=C1Cl
Safety
- HazardClass
- IRRITANT
- HS Code
- 2934999090
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.
P242Use only non-sparking tools.
P243Take precautionary measures against static discharge.
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..…
N-Bromosuccinimide Price
- Product number
- D434708
- Product name
- 2,5-Dichloro-1,3-benzoxazole
- Packaging
- 100mg
- Price
- $60
- Updated
- 2021/12/16
- Product number
- D434708
- Product name
- 2,5-Dichloro-1,3-benzoxazole
- Packaging
- 500mg
- Price
- $75
- Updated
- 2021/12/16
- Product number
- 036149
- Product name
- 2,5-Dichloro-1,3-benzoxazole
- Packaging
- 5g
- Price
- $68
- Updated
- 2021/12/16
- Product number
- E844
- Product name
- 2,5-Dichlorobenzoxazole
- Packaging
- 5g
- Price
- $80
- Updated
- 2021/12/16
- Product number
- FD115610
- Product name
- 2,5-Dichloro-1,3-benzoxazole
- Packaging
- 250mg
- Price
- $85
- Updated
- 2021/12/16
2,5-Dichlorobenzooxazole Chemical Properties,Usage,Production
Uses
2,5-Dichlorobenzooxazole is commonly used as a building block in the synthesis of pharmaceuticals and agrochemicals.
Synthesis
22876-19-3
3621-81-6
General procedure for the synthesis of 2,5-dichlorobenzoxazole from 5-chloro-2-mercaptobenzoxazole: Thionyl chloride (885 g, 7.5 mol) and N,N-dimethylformamide (270 ml) were added drop-wise to a solution of 5-chloro-2-mercaptobenzoxazole (540 g, 2.903 mol) in dichloromethane (5 L) at 5-10°C. The reaction mixture was stirred until a clarified solution was formed, followed by continued stirring for 4 hours at room temperature. Upon completion of the reaction, the reaction solution was slowly poured into 4 L of ice water and neutralized with sodium bicarbonate to pH neutral within 1 hour. The aqueous phase was extracted with dichloromethane (2.5 L x 2) and the combined organic layers were washed with saturated brine and dried over anhydrous sodium sulfate. The organic phase was concentrated under reduced pressure to give the crude product. The crude product was washed with n-hexane (2L×2) at -20°C, filtered and dried to give a yellow liquid 2,5-dichlorobenzoxazole (496.8 g, 91.0% yield).
References
[1] Patent: CN106478537, 2017, A. Location in patent: Paragraph 0027; 0028; 0039; 0040; 0050; 0051; 0065; 0066
[2] Patent: US2016/168138, 2016, A1. Location in patent: Paragraph 0144-0145
[3] Bioorganic and Medicinal Chemistry Letters, 2013, vol. 23, # 3, p. 907 - 911
[4] Advanced Synthesis and Catalysis, 2017, vol. 359, # 11, p. 1837 - 1843
[5] Journal of Medicinal Chemistry, 1988, vol. 31, # 9, p. 1719 - 1728
2,5-Dichlorobenzooxazole Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 2,5-Dichlorobenzooxazole manufacturers
- Product
- 2,5-Dichlorobenzooxazole 3621-81-6
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 1
- Release date
- 2025-08-25
- Product
- 2,5-Dichlorobenzooxazole 3621-81-6
- Price
- US $0.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 10000KGS
- Release date
- 2025-02-23
- Product
- 2,5-Dichlorobenzooxazole 3621-81-6
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 20t
- Release date
- 2024-07-15