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2(1H)-Quinoxalinone

2(1H)-Quinoxalinone structure

CAS No:
1196-57-2
Formula:
C8H6N2O
Chemical Name:
2(1H)-Quinoxalinone
Synonyms:
2(1H)-Quinoxalinone;2-Quinoxalinol;2-Hydroxyquinoxaline;3-Quinoxalinone;2-Quinoxalinone;2-Quinoxalone;1,2-Dihydroquinoxalin-2-one;NSC 13154;Quinoxaline-2-ol;15167-45-0
Categories:
Agrochemicals > Pesticide Intermediates

Description

White to yellow to light brown solidChEBI: A hydroxyquinoxaline that consists of quinoxaline having a single hydroxy substituent located at position 2.

Quinoxalin-2-ol is a hydroxyquinoxaline that consists of quinoxaline having a single hydroxy substituent located at position 2. It has a role as a metabolite. It derives from a hydride of a quinoxaline.

2(1H)-Quinoxalinone Basic Attributes

Molecular Weight：

146.15

Exact Mass：

146.15

EC Number：

214-815-6

NSC Number：

13154

DSSTox ID：

DTXSID6061604

HScode：

29339900

Characteristics

PSA：

41.5

XLogP3：

0.8

Density：

1.2312 (rough estimate)

Melting Point：

265 °C

Boiling Point：

265.75°C (rough estimate)

Flash Point：

173.6±22.3 °C

Refractive Index：

1.4900 (estimate)

Vapor Pressure：

8.65E-06mmHg at 25°C

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36/39-37/39

RTECS Number：

VD3630000

Marks：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 48 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-hydroxyquinoxaline

2(1H)-Quinoxalinone Use and Manufacturing

Methods of Manufacturing

The preparation method uses o-phenylenediamine and chloroacetic acid as starting materials, first synthesizes 2-hydroxy-dihydroquinoxaline (abbreviated as dihydro), and then oxidizes with hydrogen peroxide to obtain 2-hydroxyquinoxaline. Add chloroacetic acid and water to a 1000L enamel reactor, stir to dissolve it, add o-phenylenediamine, and continuously stir, add light calcium carbonate in batches, heat up and react for a certain period of time. Cool down, add sodium hydroxide aqueous solution, stir and break the material. Add hydrogen peroxide and increase the temperature for a certain time. Filter while hot to remove the filter residue, and the filtrate is neutralized with concentrated hydrochloric acid, filtered, and dried to obtain 2-hydroxyquinoxaline. The glyoxylic acid route is now used, with good quality and high yield.

Uses

2-Hydroxyquinoxaline is abbreviated as 2-hydroxyl, which is an intermediate of organophosphorus insecticide quetiaphos and a pharmaceutical intermediate.

Manufacturing Info：

2(1H)-Quinoxalinone: ACTIVE

Computed Properties

Molecular Weight:146.15
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:146.048012819
Monoisotopic Mass:146.048012819
Topological Polar Surface Area:41.5
Heavy Atom Count:11
Complexity:200
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Calcium carbonate

Hydrogen peroxide

Chloroacetic acid

o-Phenylenediamine

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