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Cas Database

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

4-(6-Chloroquinoxalin-2-yloxy)phenol Synthetic route

: 18671-97-1
2,6-dichloroquinoxaline

: 123-31-9
hydroquinone

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

Conditions

Conditions	Yield
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;

: 18671-97-1
2,6-dichloroquinoxaline

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

Conditions

Conditions	Yield
With potassium hydroxide; hydroquinone In water	92%

: 18671-97-1
2,6-dichloroquinoxaline

: 108-95-2
phenol

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

Conditions

Conditions	Yield
Yield given. Multistep reaction;

: 57057-80-4
ethyl (S)-2-[[(4-methylphenyl)sulfonyl]oxy]propanoate

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

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

Conditions

Conditions	Yield
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%

: 74497-15-7
(+)-ethyl 2-chloropropionate

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

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

Conditions

Conditions	Yield
With tetrabutylammomium bromide; triethylamine In toluene at 60℃; for 4h; Solvent; Temperature; Reflux;	95.1%

: 57057-80-4
ethyl (S)-2-[[(4-methylphenyl)sulfonyl]oxy]propanoate

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

: 94051-08-8
quizalofop-p

Conditions

Conditions	Yield
In toluene for 5h; Reflux;	92.9%

: 33798-77-5
ethyl (S)-α-(4-methyl-phenylsulphonyloxy)-propionate

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

: quizalofop ethyl

Conditions

Conditions	Yield
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%

: 75-09-2
dichloromethane

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

: 590-17-0
cyanomethyl bromide

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

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile	80%

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

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

Conditions

Conditions	Yield
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

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

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

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

Conditions

Conditions	Yield
With potassium carbonate	A 65.3% B n/a

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 C₁₄H₉ClN₂O₂and 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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