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6-Nitroquinoline

6-Nitroquinoline structure

CAS No:
613-50-3
Formula:
C9H6N2O2
Chemical Name:
6-Nitroquinoline
Synonyms:
Quinoline,6-nitro-;6-Nitroquinoline;NSC 4141
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

beige to light brown powder

6-Nitroquinoline Basic Attributes

Molecular Weight：

174.16

Exact Mass：

174.16

BRN：

136138

EC Number：

210-346-6

UNII：

7033583N3J

NSC Number：

4141

DSSTox ID：

DTXSID1020984

HScode：

29339900

Characteristics

PSA：

58.7

XLogP3：

1.8

Density：

1.4±0.1 g/cm3

Melting Point：

153.5 °C

Boiling Point：

170 °C

Flash Point：

156.7±20.4 °C

Refractive Index：

1.682

Toxicity：

mma-sat 100 mmol/plate MUREAV 58,11,78

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

20/21/22-40

safety instructions：

7-22-36-45

RTECS Number：

VC1900000

Marks：

Precautionary statement(s)：

P280

Hazard Statements：

H302-H312-H332-H351

GHS Classification：

|Warning|H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P308+P313, P312, P322, P330, P363, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

6-Nitroquinoline Use and Manufacturing

Methods of Manufacturing

General procedure: An oven dried pressure tube was charged with haloarenes (0.5 mmol), copper(II) triflate (45 mg, 0.125 mmol), KNOCarbon material preparation As described in Example 1, To a Schlenk flask was added 0.5 mmol of 6-nitro-1, 2, 3, 4-tetrahydroquinoline, 20 mg of catalyst, Oxygen balloon as oxygen source, The reaction was stirred at 100 ° C for 12 h, Get the corresponding target product, The yield was 80percent.EXAMPLE FIFTY-FOUR: General Procdure for Pd-Catalyzed Nitrations of Aryl Chlorides and Aryl Sulfonates (Figures 20 and 21); An oven-dried schlenk tube, which was equipped with a magnetic stir bar and fitted with a rubber septum, was charged with the PdEXAMPLE FIFTY-FOUR: General Procdure for Pd-Catalyzed Nitrations of Aryl Chlorides and Aryl Sulfonates (Figures 20 and 21); An oven-dried schlenk tube, which was equipped with a magnetic stir bar and fitted with a rubber septum, was charged with the PdGeneral procedure: Au/TiOGeneral procedure: azide 2 (13.5 mg, 0.079 mmol) wasdissolved in 80 mL of MeCN. The experimental conditions were the same asthose for the corresponding experiment with azide 1. 3-Nitrosoindolizine-8-carbaldehyde (5) (8.3 mg, 60percent) and 6-nitroquinoline (6) (1.3 mg, 9percent) wereobtained. azide 1 (6.5 mg, 0.035 mmol) was dissolved in 35 mL of MeCN and placed in a thermostatically controlled (20 C) quartz reactor. To saturate the solution with oxygen, O2 was bubbled through it for 5 min. The resulting solution was furtherpurged with O2 and irradiated by means of a xenon lamp through BS-4 anUFS-2 filters (300–380 nm) until the starting material had disappeared. Thereaction mixture was concentrated to about 0.5 mL and separatedchromatographically [Luna 10 lm C18 10 250 mm column (Phenomenex), eluent: MeC

Uses

Used in organic synthesis.

Computed Properties

Molecular Weight:174.16
XLogP3:1.8
Hydrogen Bond Acceptor Count:3
Exact Mass:174.042927438
Monoisotopic Mass:174.042927438
Topological Polar Surface Area:58.7
Heavy Atom Count:13
Complexity:202
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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