4-Chloro-3',4'-dimethoxybenzophenone supplier

Name
4-Chloro-3,4'-DimethoxyBenzophenone
EINECS
CAS No. 116412-83-0
Article Data12
CAS DataBase
Density 1.216g/cm³
Solubility
Melting Point 111-112 °C(Solv: ethanol (64-17-5))
Formula C15H13 Cl O3
Boiling Point 414.5°Cat760mmHg
Molecular Weight 276.719
Flash Point 167.2°C
Transport Information
Appearance
Safety Hazard Codes N
Risk Statements 50/53
Safety Statements 60-61
Risk Codes 50/53
Molecular Structure
Hazard Symbols
Synonyms 3,4-Dimethoxy-4'-chloro-benzophenone
PSA 35.53000
LogP 3.58820

Synthetic route

: 91-16-7
1,2-dimethoxybenzene

: 122-01-0
4-chloro-benzoyl chloride

A FeCl3: FeCl3

B: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

Conditions

Conditions	Yield
	A n/a B 93%

...Expand

: 91-16-7
1,2-dimethoxybenzene

: 74-11-3
para-chlorobenzoic acid

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate at 80 - 90℃; for 0.05h; Microwave irradiation; chemoselective reaction;	89%

: 120-14-9
3,4-dimethoxy-benzaldehyde

: 873-77-8
(4-chlorphenyl)magnesium bromide

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

Conditions

Conditions	Yield
Stage #1: 3,4-dimethoxy-benzaldehyde; (4-chlorphenyl)magnesium bromide In tetrahydrofuran Stage #2: With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; [bis(acetoxy)iodo]benzene In dichloromethane	86%

: 91-16-7
1,2-dimethoxybenzene

: 122-01-0
4-chloro-benzoyl chloride

: 79-34-5
1,1,2,2-tetrachloroethane

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

Conditions

Conditions	Yield
With FeCl3; graphite	84.3%
With FeCl3; graphite	84.3%
graphite	81.3%

...Expand

: 91-16-7
1,2-dimethoxybenzene

: 5216-25-1
4-chlorotrichloromethylbenzene

: 79-34-5
1,1,2,2-tetrachloroethane

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

Conditions

Conditions	Yield
graphite In water	79.5%

...Expand

: 91-16-7
1,2-dimethoxybenzene

: 122-01-0
4-chloro-benzoyl chloride

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

Conditions

Conditions	Yield
With Cl4Fe(1-)C9H7N3O2H(1+) In neat (no solvent) at 100℃; for 3h; Friedel-Crafts Acylation; Inert atmosphere;	70%
With aluminium trichloride In dichloromethane for 0.5h; Friedel-Crafts reaction;	53%
With aluminium trichloride In benzene at 55 - 60℃; for 2.5h; Friedel-Crafts reaction;

: 74-11-3
para-chlorobenzoic acid

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 2 h / 20 °C / Reflux 2: aluminum (III) chloride / dichloromethane / 2 h / 0 °C / Reflux View Scheme

: 120-80-9
benzene-1,2-diol

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: sodium hydroxide / water / 1.33 h / 10 - 15 °C / Inert atmosphere; Large scale 1.2: 4.7 h / 20 - 50 °C / Inert atmosphere; Large scale 2.1: iron(III) chloride / hexane / 2.8 h / 120 °C / Inert atmosphere; Large scale View Scheme

: 91-16-7
1,2-dimethoxybenzene

: 99-91-2
para-chloroacetophenone

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

Conditions

Conditions	Yield
With iron(III) chloride In hexane at 120℃; for 2.8h; Temperature; Inert atmosphere; Large scale;

: 1779-49-3
Methyltriphenylphosphonium bromide

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

: C16H15ClO2

Conditions

Conditions	Yield
With sodium hydride	89%

: 1696-20-4
4-acetylmorpholine

: 75-85-4
tert-Amyl alcohol

: 14593-46-5
sodium tert-pentoxide

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

: dimethomorph

Conditions

Conditions	Yield
With carbon dioxide In 5,5-dimethyl-1,3-cyclohexadiene; di-isopropyl ether; paraffin oil	82.2%

...Expand

: 107-21-1
ethylene glycol

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

: 812685-05-5
2-(4-chloro-phenyl)-2-(3,4-dimethoxy-phenyl)-[1,3]dioxolane

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene for 40h; Heating;	82%

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

: 681469-99-8
(4-chlorophenyl)-(4,5-dimethoxy-2-nitrophenyl)methanone

Conditions

Conditions	Yield
With nitric acid; acetic acid at 0 - 20℃; for 0.5h;	77%
With nitric acid; acetic acid

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

: 4-[3-(4-chlorophenyl)-5,6-dimethoxy-1H-2-indolyl]-2-butanone

Conditions

Conditions	Yield
Multi-step reaction with 7 steps 1: 77 percent / HNO3; AcOH / 0.5 h / 0 - 20 °C 2: 67 percent / Fe; AcOH / H2O; ethyl acetate / 6 h / Heating 3: 78 percent / pyridine / 1 h / 20 °C 4: 86 percent / NaBH4 / ethanol / Heating 5: 76 percent / p-TsOH / CH2Cl2 / Heating 6: 81 percent / HCl / ethanol / Heating 7: 91 percent / KOH / methanol / 4 h / Heating View Scheme

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

: 924635-48-3
2-[4-chlorophenyl(hydroxy)methyl]-4,5-dimethoxy-1-(4-methylphenylsulfonamido)benzene

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 77 percent / HNO3; AcOH / 0.5 h / 0 - 20 °C 2: 67 percent / Fe; AcOH / H2O; ethyl acetate / 6 h / Heating 3: 78 percent / pyridine / 1 h / 20 °C 4: 86 percent / NaBH4 / ethanol / Heating View Scheme

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

: 886493-87-4
2-(4-chlorobenzoyl)-4,5-dimethoxy-1-(4-methylphenylsufonamido)benzene

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 77 percent / HNO3; AcOH / 0.5 h / 0 - 20 °C 2: 67 percent / Fe; AcOH / H2O; ethyl acetate / 6 h / Heating 3: 78 percent / pyridine / 1 h / 20 °C View Scheme

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

: 924635-54-1
4-methyl-N-{2-[(4-chlorophenyl)(5-methylfuran-2-yl)methyl]-4,5-dimethoxyphenyl}benzenesulfonamide

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 77 percent / HNO3; AcOH / 0.5 h / 0 - 20 °C 2: 67 percent / Fe; AcOH / H2O; ethyl acetate / 6 h / Heating 3: 78 percent / pyridine / 1 h / 20 °C 4: 86 percent / NaBH4 / ethanol / Heating 5: 76 percent / p-TsOH / CH2Cl2 / Heating View Scheme

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

: 920457-61-0
4-[3-(4-chlorophenyl)-5,6-dimethoxy-1-(4-methylphenylsulfonyl)-1H-2-indolyl]-2-butanone

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: 77 percent / HNO3; AcOH / 0.5 h / 0 - 20 °C 2: 67 percent / Fe; AcOH / H2O; ethyl acetate / 6 h / Heating 3: 78 percent / pyridine / 1 h / 20 °C 4: 86 percent / NaBH4 / ethanol / Heating 5: 76 percent / p-TsOH / CH2Cl2 / Heating 6: 81 percent / HCl / ethanol / Heating View Scheme

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

: 886494-44-6
(2-amino-4,5-dimethoxyphenyl)-(4-chlorophenyl)methanone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 77 percent / HNO3; AcOH / 0.5 h / 0 - 20 °C 2: 67 percent / Fe; AcOH / H2O; ethyl acetate / 6 h / Heating View Scheme

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

: 3-chloro-6-(3,4-dimethoxybenzoyl)benzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: 82 percent / p-toluenesulfonic acid / toluene / 40 h / Heating 2.1: butyllithium / hexane; tetrahydrofuran / 2 h / -20 °C 2.2: tetrahydrofuran; hexane / 3 h 3.1: 1.35 g / aq. hydrochloric acid / 4 h / Heating View Scheme

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

: 5-chloro-2-[2-(3,4-dimethoxy-phenyl)-[1,3]dioxolan-2-yl]-benzenesulfonyl chloride

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: 82 percent / p-toluenesulfonic acid / toluene / 40 h / Heating 2.1: butyllithium / hexane; tetrahydrofuran / 2 h / -20 °C 2.2: sulfur dioxide / tetrahydrofuran; hexane / 12 h / 20 °C 3.1: sulfuryl chloride / hexane / 0.5 h / 0 °C View Scheme

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

: 1027937-58-1
5-chloro-2-[2-(3,4-dimethoxy-phenyl)-[1,3]dioxolan-2-yl]-benzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: 82 percent / p-toluenesulfonic acid / toluene / 40 h / Heating 2.1: butyllithium / hexane; tetrahydrofuran / 2 h / -20 °C 2.2: tetrahydrofuran; hexane / 3 h View Scheme

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

: lithium; 5-chloro-2-[2-(3,4-dimethoxy-phenyl)-[1,3]dioxolan-2-yl]-benzenesulfinate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: 82 percent / p-toluenesulfonic acid / toluene / 40 h / Heating 2.1: butyllithium / hexane; tetrahydrofuran / 2 h / -20 °C 2.2: sulfur dioxide / tetrahydrofuran; hexane / 12 h / 20 °C View Scheme

: 1696-20-4
4-acetylmorpholine

: 14593-46-5
sodium tert-pentoxide

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

: dimethomorph

Conditions

Conditions	Yield
In di-isopropyl ether; toluene

...Expand

: 75-65-0
tert-butyl alcohol

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

: dimethomorph

Conditions

Conditions	Yield
In toluene; paraffin oil

: 1696-20-4
4-acetylmorpholine

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

: dimethomorph

Conditions

Conditions	Yield
With potassium hydroxide In tetrahydrofuran

: 1696-20-4
4-acetylmorpholine

: 2096-86-8
p-Tolylaceton

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

A: 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3-hydroxy-1-morpholinopropan-1-one

B: dimethomorph

Conditions

Conditions	Yield
With potassium hydroxide In water; toluene

...Expand

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

: 1239703-27-5
4-chloro-3',4'-dimethoxydiphenylmethane

Conditions

Conditions	Yield
With aluminum (III) chloride; lithium aluminium tetrahydride for 2h; Reflux;

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

: 134612-84-3
4-chloro-3',4'-dihydroxydiphenylmethanone

Conditions

Conditions	Yield
With boron tribromide In dichloromethane at -78 - 20℃; for 4h;

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

: 1385825-44-4
(3,4-dimethoxyphenyl)(4-chlorophenyl)methanone oxime

Conditions

Conditions	Yield
With hydroxylamine hydrochloride; sodium hydroxide In ethanol for 6h; Reflux;

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

: 1496524-38-9
isopropyl((2S)-1-(((3,4-dimethoxylphenyl)(4-chlorophenyl)methyl)amino)-3-methyl-1-oxobutan-2-yl)carbamate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: sodium hydroxide; hydroxylamine hydrochloride / ethanol / 6 h / Reflux 2.1: ammonium hydroxide; zinc; ammonium acetate / ethanol / 1 h / Reflux 3.1: triethylamine; chloroformic acid ethyl ester / tetrahydrofuran / 1 h / 0 °C 3.2: 2 h / 20 °C View Scheme

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

: 1016697-21-4
(3,4-dimethoxyphenyl)(4-chlorophenyl)methylamine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium hydroxide; hydroxylamine hydrochloride / ethanol / 6 h / Reflux 2: ammonium hydroxide; zinc; ammonium acetate / ethanol / 1 h / Reflux View Scheme

4-Chloro-3',4'-dimethoxybenzophenone Chemical Properties

Molecular structure of 4-Chloro-3',4'-dimethoxybenzophenone (CAS NO.116412-83-0) is:

Product Name: 4-Chloro-3',4'-dimethoxybenzophenone
CAS Registry Number: 116412-83-0
Molecular Formula: C₁₅H₁₃ClO₃
Molecular Weight: 276.71
Index of Refraction: 1.566
Molar Refractivity: 74.29 cm³
Molar Volume: 227.5 cm³
Surface Tension: 41.1 dyne/cm
Density: 1.216 g/cm³
Flash Point: 167.2 °C
Enthalpy of Vaporization: 66.74 kJ/mol
Boiling Point: 414.5 °C at 760 mmHg
Vapour Pressure: 4.44E-07 mmHg at 25 °C
EINECS: 404-610-1
Product Categories: Naphthyridine,Quinoline
SMILES: O=C(c1ccc(Cl)cc1)c2ccc(OC)c(OC)c2
InChI: InChI=1/C15H13ClO3/c1-18-13-8-5-11(9-14(13)19-2)15(17)10-3-6-12(16)7-4-10/h3-9H,1-2H3
InChIKey: MLLIIHAKTPXMFF-UHFFFAOYAN
Std. InChI: InChI=1S/C15H13ClO3/c1-18-13-8-5-11(9-14(13)19-2)15(17)10-3-6-12(16)7-4-10/h3-9H,1-2H3
Std. InChIKey: MLLIIHAKTPXMFF-UHFFFAOYSA-N

4-Chloro-3',4'-dimethoxybenzophenone Safety Profile

Safty information about 4-Chloro-3',4'-dimethoxybenzophenone (CAS NO.116412-83-0) is:
Hazard Codes: Dangerous N
Risk Statements: 50/53
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 60-61
S60:This material and its container must be disposed of as hazardous waste.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.

4-Chloro-3',4'-dimethoxybenzophenone Specification

4-Chloro-3',4'-dimethoxybenzophenone , its cas register number is 116412-83-0. It also can be called Methanone,(4-chlorophenyl)(3,4-dimethoxyphenyl)- .

Product Name

4-Chloro-3,4'-DimethoxyBenzophenone

Synthetic route

4-Chloro-3',4'-dimethoxybenzophenone Chemical Properties

4-Chloro-3',4'-dimethoxybenzophenone Safety Profile

4-Chloro-3',4'-dimethoxybenzophenone Specification

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