Product Name

  • Name

    6-CHLORO-2-[(4-HYDROXYPHENYL)OXY]QUINOXALINE

  • EINECS
  • CAS No. 76578-79-5
  • Article Data6
  • CAS DataBase
  • Density 1.428 g/cm3
  • Solubility
  • Melting Point
  • Formula C14H9ClN2O2
  • Boiling Point 459.952 °C at 760 mmHg
  • Molecular Weight 272.691
  • Flash Point 231.971 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 76578-79-5 (6-CHLORO-2-[(4-HYDROXYPHENYL)OXY]QUINOXALINE)
  • Hazard Symbols
  • Synonyms phenol, 4-[(6-Chloro-2-quinoxalinyl)oxy]-;6-Chloro-2-[(4-hydroxyphenyl)oxy]quinoxaline;
  • PSA 55.24000
  • LogP 3.78110

Synthetic route

2,6-dichloroquinoxaline
18671-97-1

2,6-dichloroquinoxaline

hydroquinone
123-31-9

hydroquinone

6-chloro-2-(4-hydroxyphenoxy)quinoxaline
76578-79-5

6-chloro-2-(4-hydroxyphenoxy)quinoxaline

Conditions
ConditionsYield
Stage #1: hydroquinone With sodium hydroxide In toluene at 85℃; for 0.5h; Inert atmosphere;
Stage #2: 2,6-dichloroquinoxaline In toluene at 100℃; for 7h; Temperature; Inert atmosphere;		93.5%
Stage #1: hydroquinone With sodium hydroxide In toluene at 85℃; for 0.5h; Inert atmosphere;
Stage #2: 2,6-dichloroquinoxaline In toluene at 100℃; for 7h; Temperature; Inert atmosphere;		93.5%
With potassium carbonate 1.) DMF, 100 deg C, 1 h, 2.) DMF, 120 deg C, 3 h; Yield given. Multistep reaction;
2,6-dichloroquinoxaline
18671-97-1

2,6-dichloroquinoxaline

6-chloro-2-(4-hydroxyphenoxy)quinoxaline
76578-79-5

6-chloro-2-(4-hydroxyphenoxy)quinoxaline

Conditions
ConditionsYield
With potassium hydroxide; hydroquinone In water92%
2,6-dichloroquinoxaline
18671-97-1

2,6-dichloroquinoxaline

phenol
108-95-2

phenol

6-chloro-2-(4-hydroxyphenoxy)quinoxaline
76578-79-5

6-chloro-2-(4-hydroxyphenoxy)quinoxaline

Conditions
ConditionsYield
Yield given. Multistep reaction;
ethyl (S)-2-[[(4-methylphenyl)sulfonyl]oxy]propanoate
57057-80-4

ethyl (S)-2-[[(4-methylphenyl)sulfonyl]oxy]propanoate

6-chloro-2-(4-hydroxyphenoxy)quinoxaline
76578-79-5

6-chloro-2-(4-hydroxyphenoxy)quinoxaline

(R)-2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]propanoic acid ethyl ester
76578-14-8

(R)-2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]propanoic acid ethyl ester

Conditions
ConditionsYield
With potassium carbonate In methyl cyclohexane for 3h; Solvent; Inert atmosphere; Reflux;95.9%
In toluene for 5h; Solvent; Reflux;92.9%
With potassium carbonate In cyclohexane for 18h; Heating / reflux;91%
(+)-ethyl 2-chloropropionate
74497-15-7

(+)-ethyl 2-chloropropionate

6-chloro-2-(4-hydroxyphenoxy)quinoxaline
76578-79-5

6-chloro-2-(4-hydroxyphenoxy)quinoxaline

(R)-2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]propanoic acid ethyl ester
76578-14-8

(R)-2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]propanoic acid ethyl ester

Conditions
ConditionsYield
With tetrabutylammomium bromide; triethylamine In toluene at 60℃; for 4h; Solvent; Temperature; Reflux;95.1%
ethyl (S)-2-[[(4-methylphenyl)sulfonyl]oxy]propanoate
57057-80-4

ethyl (S)-2-[[(4-methylphenyl)sulfonyl]oxy]propanoate

6-chloro-2-(4-hydroxyphenoxy)quinoxaline
76578-79-5

6-chloro-2-(4-hydroxyphenoxy)quinoxaline

quizalofop-p
94051-08-8

quizalofop-p

Conditions
ConditionsYield
In toluene for 5h; Reflux;92.9%
ethyl (S)-α-(4-methyl-phenylsulphonyloxy)-propionate
33798-77-5

ethyl (S)-α-(4-methyl-phenylsulphonyloxy)-propionate

6-chloro-2-(4-hydroxyphenoxy)quinoxaline
76578-79-5

6-chloro-2-(4-hydroxyphenoxy)quinoxaline

quizalofop ethyl

quizalofop ethyl

Conditions
ConditionsYield
Stage #1: 6-chloro-2-(4-hydroxyphenoxy)quinoxaline With potassium carbonate; toluene-4-sulfonic acid Inert atmosphere;
Stage #2: ethyl (S)-α-(4-methyl-phenylsulphonyloxy)-propionate for 11h; Time; Reflux;		91.9%
With potassium carbonate In toluene for 11h; Inert atmosphere; Reflux;91.9%
dichloromethane
75-09-2

dichloromethane

6-chloro-2-(4-hydroxyphenoxy)quinoxaline
76578-79-5

6-chloro-2-(4-hydroxyphenoxy)quinoxaline

cyanomethyl bromide
590-17-0

cyanomethyl bromide

2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}acetonitrile

2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}acetonitrile

Conditions
ConditionsYield
With potassium carbonate In acetonitrile80%
...Expand
6-chloro-2-(4-hydroxyphenoxy)quinoxaline
76578-79-5

6-chloro-2-(4-hydroxyphenoxy)quinoxaline

(R)-2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]propanoic acid ethyl ester
76578-14-8

(R)-2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]propanoic acid ethyl ester

Conditions
ConditionsYield
With potassium carbonate In acetonitrile for 5h; Heating / reflux;66%
With potassium carbonate In DMF (N,N-dimethyl-formamide) at 80 - 90℃; for 4h;63%
With potassium carbonate In butanone for 5h; Heating / reflux;59%
2-thiophenylmethyl 2-bromopropanoate

2-thiophenylmethyl 2-bromopropanoate

6-chloro-2-(4-hydroxyphenoxy)quinoxaline
76578-79-5

6-chloro-2-(4-hydroxyphenoxy)quinoxaline

A

2-thiophenylmethyl 2-[4-(6-chloro-2-quinoxalinyloxy)phenoxy]propanoate

2-thiophenylmethyl 2-[4-(6-chloro-2-quinoxalinyloxy)phenoxy]propanoate

B

2-thiophenylmethyl 2-[4-(6-chloro-2-quinoxalinyloxy)phenoxyl]propanoate

2-thiophenylmethyl 2-[4-(6-chloro-2-quinoxalinyloxy)phenoxyl]propanoate

Conditions
ConditionsYield
With potassium carbonateA 65.3%
B n/a
...Expand
ethyl (S)-2-{[(prop-2-yn-1-ylthio)carbonothioyl]oxy}propanoate

ethyl (S)-2-{[(prop-2-yn-1-ylthio)carbonothioyl]oxy}propanoate

6-chloro-2-(4-hydroxyphenoxy)quinoxaline
76578-79-5

6-chloro-2-(4-hydroxyphenoxy)quinoxaline

(R)-2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]propanoic acid ethyl ester
76578-14-8

(R)-2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]propanoic acid ethyl ester

Conditions
ConditionsYield
In benzonitrile at 130℃; Inert atmosphere; enantioselective reaction;35%
1,4,7,10,13-pentaoxycyclopentadecane

1,4,7,10,13-pentaoxycyclopentadecane

L-2-[(isopropylideneamino)oxy]ethyl-2-[(p-toluenesulphonyl)oxy]propionate

L-2-[(isopropylideneamino)oxy]ethyl-2-[(p-toluenesulphonyl)oxy]propionate

6-chloro-2-(4-hydroxyphenoxy)quinoxaline
76578-79-5

6-chloro-2-(4-hydroxyphenoxy)quinoxaline

2-[(isopropylideneamino)oxy]ethyl D-2-[p-[(6-chloro-2-quinoxalinyl)oxy]-phenoxy]propionate

2-[(isopropylideneamino)oxy]ethyl D-2-[p-[(6-chloro-2-quinoxalinyl)oxy]-phenoxy]propionate

Conditions
ConditionsYield
In N-methyl-acetamide; hexane; water; mineral oil
...Expand
(-)-lactic acid [[(isopropylideneamino)-oxy]methyl]ester

(-)-lactic acid [[(isopropylideneamino)-oxy]methyl]ester

6-chloro-2-(4-hydroxyphenoxy)quinoxaline
76578-79-5

6-chloro-2-(4-hydroxyphenoxy)quinoxaline

diethylazodicarboxylate
1972-28-7

diethylazodicarboxylate

[(isopropylideneamino)oxy]methyl D-1-[p-[(6-chloro-2-quinoxalinyl)-oxy]-phenoxy]propionate

[(isopropylideneamino)oxy]methyl D-1-[p-[(6-chloro-2-quinoxalinyl)-oxy]-phenoxy]propionate

Conditions
ConditionsYield
With triphenylphosphine In tetrahydrofuran; water
...Expand
2-chloro-N-(2-fluorophenyl)acetamide
347-66-0

2-chloro-N-(2-fluorophenyl)acetamide

6-chloro-2-(4-hydroxyphenoxy)quinoxaline
76578-79-5

6-chloro-2-(4-hydroxyphenoxy)quinoxaline

2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]-N-(2-fluorophenyl)acetamide

2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]-N-(2-fluorophenyl)acetamide

Conditions
ConditionsYield
With potassium carbonate In butanone

4-(6-Chloroquinoxalin-2-yloxy)phenol Specification

The CAS register number of 4-(6-Chloroquinoxalin-2-yloxy)phenol is 76578-79-5. It also can be called as 6-Chloro-2-[(4-hydroxyphenyl)oxy]quinoxaline and the systematic name about this chemical is 4-[(6-chloroquinoxalin-2-yl)oxy]phenol. The molecular formula about this chemical is C14H9ClN2O2 and the molecular weight is 272.69. It belongs to the Miscellaneous.

Physical properties about 4-(6-Chloroquinoxalin-2-yloxy)phenol are: (1)ACD/LogP: 2.68; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 169; (5)ACD/BCF (pH 7.4): 165; (6)ACD/KOC (pH 5.5): 1371; (7)ACD/KOC (pH 7.4): 1339; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 55.24Å2; (12)Index of Refraction: 1.696; (13)Molar Refractivity: 73.498 cm3; (14)Molar Volume: 190.964 cm3; (15)Polarizability: 29.137x10-24cm3; (16)Surface Tension: 64.608 dyne/cm; (17)Enthalpy of Vaporization: 74.816 kJ/mol; (18)Boiling Point: 459.952 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2
(2)InChI: InChI=1/C14H9ClN2O2/c15-9-1-6-12-13(7-9)16-8-14(17-12)19-11-4-2-10(18)3-5-11/h1-8,18H
(3)InChIKey: UVYFSLAJRJHGJB-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C14H9ClN2O2/c15-9-1-6-12-13(7-9)16-8-14(17-12)19-11-4-2-10(18)3-5-11/h1-8,18H
(5)Std. InChIKey: UVYFSLAJRJHGJB-UHFFFAOYSA-N

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