3621-81-6

Basic information

• Product Name: 2,5-Dichlorobenzooxazole
• Synonyms: 2,5-DICHLOROBENZOXAZOLE;2,5-Dichlorobenzooxazole;Benzoxazole, 2,5-dichloro- (6CI,7CI,8CI,9CI);2,5-dichlorobenzo[d]oxazole;2,5-dichloro-1,3-benzoxazole(SALTDATA: FREE);Benzoxazole, 2,5-dichloro-;2,5-Dichlorobenzooxazole (For suvorexant)
• CAS NO: 3621-81-6
• Molecular Formula: C₇H₃Cl₂NO
• Molecular Weight: 188.01
• Product Categories: API intermediates
• Mol File: 3621-81-6.mol
• Article Data: 20

Chemical Properties

• Melting Point: 44-46 °C
• Boiling Point: 242.867 °C at 760 mmHg
• Flash Point: 100.683 °C
• Appearance: /
• Density: 1.523 g/cm³
• Vapor Pressure: 0.052mmHg at 25°C
• Refractive Index: 1.636
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: -1.40±0.10(Predicted)
• CAS DataBase Reference: 2,5-Dichlorobenzooxazole(CAS DataBase Reference)
• NIST Chemistry Reference: 2,5-Dichlorobenzooxazole(3621-81-6)
• EPA Substance Registry System: 2,5-Dichlorobenzooxazole(3621-81-6)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 3621-81-6(Hazardous Substances Data)

Usage

General Description

2,5-Dichlorobenzooxazole is a chemical compound with the molecular formula C8H4Cl2NO. It is a white crystalline solid that is insoluble in water and has a melting point of 87-90°C. 2,5-Dichlorobenzooxazole is primarily used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. It has also been studied for its potential as a fluorescent probe for detecting metal ions. However, it is important to handle 2,5-Dichlorobenzooxazole with care, as it is considered a hazardous substance with potential health and environmental risks.

InChI:InChI=1/C7H3Cl2NO/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H

Upstream product

• 22876-19-3 5-chloro-2-mercaptobenzoxazole 
• 79-37-8 oxalyl dichloride 
• 22876-19-3 5-chlorobenzo[d]oxazole-2(3H)-thione 

Downstream Products

• 1276666-16-0 C₁₃H₁₆ClN₃O*C₁₈H₁₄O₈ 
• 1276666-14-8 C₁₃H₁₆ClN₃O*C₁₈H₁₄O₈ 
• 57260-48-7 1-(5-chloro-benzooxazol-2-yl)-4-[3-(4-methoxy-phenyl)-acryloyl]-piperazine 

Relevant articles and documents

A [2 - [(5 - chloro - benzo oxazole - 2 - yl) (3 - oxo-butyl) amino] ethyl] carbamic acid tert-butyl preparation method (by machine translation)

The invention discloses a [2 - [(5 - chloro - benzo oxazole - 2 - yl) (3 - oxo-butyl) amino] ethyl] carbamic acid tert-butyl preparation method, in order to ethylenediamine, vinyl, 2 - amino - 4 - chlorophenol and the like as raw materials, after five-step reaction to obtain the target product [2 - [(5 - chloro - benzo oxazole - 2 - yl) (3 - oxo-butyl) amino] ethyl] tert-butyl carbamate. The invention has simple operation, environment friendly, comprehensive yield is 52% more, than the existing 35.6% yield, with a remarkable enhancement, greatly reduces the production cost of the existing drugs, is suitable for industrial scale production. (by machine translation)

OCTAHYDROPYRROLO [3, 4-c] PYRROLE DERIVATIVES AND USES THEREOF

The invention relates to octahydropyrrolo [3, 4-c] pyrrole derivatives and uses thereof. Compounds and pharmaceutical compositions comprising the compounds provided herein are used for antagonizing orexin receptors. The invention also relates to processes for preparing the compounds and pharmaceutical compositions, and uses thereof in treating or preventing a disease related to orexin receptors.

PROCESS FOR THE RESOLUTION OF (R,S)-DIAZEPANE AND DIAZEPANONE DERIVATIVES

The present invention relates to a process for the preparation of an acid salt (T) of a compound of formula (A) (A) as well as to the acid salt (T) and the compound (A) as such,wherein R1 is selected from the group consisting of H, PG1 and RA, with RA being or and wherein PG1 is a suitable protecting group, and wherein n is 0 or 1, wherein the acid salt (T) is the salt of one stereoisomer of a chiral acid, preferably wherein the chiral acid salt is a tartaric acid derivative salt, preferably wherein the tartaric acid derivative salt is selected from the group consisting of 2,3-ditoluoyl tartaric acid salt, 2,3-dibenzoyl tartaric acid salt, 2,3-dianisoyl tartaric acid salt, 2,3-dibenzoyl tartaric acid mono(dimethylamide) salt and a mixture of two or more thereof. Further the present invention relates to use of (T) and/or (A) for the preparation of suvorexant.