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39070-63-8

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39070-63-8 Usage

Uses

3,4-Diaminobenzophenone is used in the synthesis of 2-Amino-5(6)-benzoylbenzimidazole (A593760), which is a minor urinary metabolite of Mebendazole (M200500) in man. Mebendazole impurity.

Purification Methods

Crystallise it from *C6H6/pet ether and sublime it in vacuo [Ayyanger et al. Org Prep Proced Int 23 627 1991].

Check Digit Verification of cas no

The CAS Registry Mumber 39070-63-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,9,0,7 and 0 respectively; the second part has 2 digits, 6 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 39070-63:
(7*3)+(6*9)+(5*0)+(4*7)+(3*0)+(2*6)+(1*3)=118
118 % 10 = 8
So 39070-63-8 is a valid CAS Registry Number.
InChI:InChI=1/C13H12N2O/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8H,14-15H2

39070-63-8 Well-known Company Product Price

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  • Alfa Aesar

  • (A13863)  3,4-Diaminobenzophenone, 97%   

  • 39070-63-8

  • 5g

  • 212.0CNY

  • Detail
  • Alfa Aesar

  • (A13863)  3,4-Diaminobenzophenone, 97%   

  • 39070-63-8

  • 100g

  • 1736.0CNY

  • Detail
  • Aldrich

  • (191760)  3,4-Diaminobenzophenone  97%

  • 39070-63-8

  • 191760-25G

  • 766.35CNY

  • Detail

39070-63-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name (3,4-Diaminophenyl)phenylmethanone

1.2 Other means of identification

Product number -
Other names 3,4-DIAMINOBENZOPHENONE MONOHYDROCHLORIDE

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:39070-63-8 SDS

39070-63-8Synthetic route

2-nitro-4-benzoylaniline
31431-19-3

2-nitro-4-benzoylaniline

4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

Conditions
ConditionsYield
With pyrrolidine In 5,5-dimethyl-1,3-cyclohexadiene at 20 - 60℃; for 5h; Reagent/catalyst; Temperature;98.9%
With sodium sulfide for 5h; Reduction; Heating;90%
(i) Fe, aq. NH4Cl, (ii) aq. HCl; Multistep reaction;
With tin(ll) chloride In ethanol Heating;
With sulfur; sodium hydroxide In methanol at 78 - 80℃;
3,4-dinitrobenzophenone
33609-48-2

3,4-dinitrobenzophenone

4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

Conditions
ConditionsYield
With hydrogen; nickel In tetrahydrofuran at 30 - 40℃;
With palladium 10% on activated carbon; hydrogen In methanol at 20℃; for 24h;
N-(4-benzoylphenyl)acetamide
4834-61-1

N-(4-benzoylphenyl)acetamide

4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 95 percent / fuming HNO3
2: aq. NaOH / methanol / Heating
3: 90 percent / aq. Na2S / 5 h / Heating
View Scheme
4-acetamido-3-nitrobenzophenone
53502-23-1

4-acetamido-3-nitrobenzophenone

4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: aq. NaOH / methanol / Heating
2: 90 percent / aq. Na2S / 5 h / Heating
View Scheme
N-phenyl methyl carbamate
2603-10-3

N-phenyl methyl carbamate

phloroglucinoldicarboxylic acid ester

phloroglucinoldicarboxylic acid ester

4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 98 percent / AlCl3 / 1,2-dichloro-ethane / 5 h / 0 - 5 °C
2: 96 percent / fuming HNO3 / 0.75 h / 0 - 25 °C
3: 94 percent / aq. NaOH / methanol / 3 h / Heating
4: 90 percent / aq. Na2S / 5 h / Heating
View Scheme
Methyl N-(4-benzoylphenyl)carbamate
134919-56-5

Methyl N-(4-benzoylphenyl)carbamate

4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 96 percent / fuming HNO3 / 0.75 h / 0 - 25 °C
2: 94 percent / aq. NaOH / methanol / 3 h / Heating
3: 90 percent / aq. Na2S / 5 h / Heating
View Scheme
Methyl N-(4-benzoyl-2-nitrophenyl)carbamate
136023-33-1

Methyl N-(4-benzoyl-2-nitrophenyl)carbamate

4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 94 percent / aq. NaOH / methanol / 3 h / Heating
2: 90 percent / aq. Na2S / 5 h / Heating
View Scheme
Benzotrichlorid
98-07-7

Benzotrichlorid

4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 98 percent / AlCl3 / 1,2-dichloro-ethane / 5 h / 0 - 5 °C
2: 96 percent / fuming HNO3 / 0.75 h / 0 - 25 °C
3: 94 percent / aq. NaOH / methanol / 3 h / Heating
4: 90 percent / aq. Na2S / 5 h / Heating
View Scheme
3,4-dinitrobenzoic acid
528-45-0

3,4-dinitrobenzoic acid

4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 1.) SOCl2, 2.) AlCl3 / 1.) reflux, 10 min, 2.) room temp., 24 h, then 40-50 deg C, 0.5 h
2: H2 / Raney nickel / tetrahydrofuran / 30 - 40 °C
View Scheme
Multi-step reaction with 3 steps
1: thionyl chloride / N,N-dimethyl-formamide / 0 °C
2: aluminum (III) chloride / dichloromethane / 3 h / Reflux; Inert atmosphere
3: palladium 10% on activated carbon; hydrogen / methanol / 24 h / 20 °C
View Scheme
3,4-Dinitrotoluene
610-39-9

3,4-Dinitrotoluene

4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 75 percent / CrO3, aq. H2SO4 / 1.) 35 deg C, 0.5 h, 2.) 45-55 deg C, 4 h
2: 1.) SOCl2, 2.) AlCl3 / 1.) reflux, 10 min, 2.) room temp., 24 h, then 40-50 deg C, 0.5 h
3: H2 / Raney nickel / tetrahydrofuran / 30 - 40 °C
View Scheme
4-methyl-2-nitro-1-nitrosobenzene
6971-33-1

4-methyl-2-nitro-1-nitrosobenzene

4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 8 g / aq. HNO3 / 0.08 h
2: 75 percent / CrO3, aq. H2SO4 / 1.) 35 deg C, 0.5 h, 2.) 45-55 deg C, 4 h
3: 1.) SOCl2, 2.) AlCl3 / 1.) reflux, 10 min, 2.) room temp., 24 h, then 40-50 deg C, 0.5 h
4: H2 / Raney nickel / tetrahydrofuran / 30 - 40 °C
View Scheme
4-methyl-2-nitroaniline
89-62-3

4-methyl-2-nitroaniline

4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 89 percent / K2S2O8, H2SO4 / 24 h
2: 8 g / aq. HNO3 / 0.08 h
3: 75 percent / CrO3, aq. H2SO4 / 1.) 35 deg C, 0.5 h, 2.) 45-55 deg C, 4 h
4: 1.) SOCl2, 2.) AlCl3 / 1.) reflux, 10 min, 2.) room temp., 24 h, then 40-50 deg C, 0.5 h
5: H2 / Raney nickel / tetrahydrofuran / 30 - 40 °C
View Scheme
4-chloro-3-nitrobenzophenone
56107-02-9

4-chloro-3-nitrobenzophenone

4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: NH3
2: (i) Fe, aq. NH4Cl, (ii) aq. HCl
View Scheme
Multi-step reaction with 2 steps
1: ammonia / 130 - 135 °C / 4500.45 - 5250.53 Torr
2: sulfur; sodium hydroxide / methanol / 78 - 80 °C
View Scheme
3,4-dinitrobenzoyl chloride
24376-18-9

3,4-dinitrobenzoyl chloride

4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: aluminum (III) chloride / dichloromethane / 3 h / Reflux; Inert atmosphere
2: palladium 10% on activated carbon; hydrogen / methanol / 24 h / 20 °C
View Scheme
para-chlorotoluene
106-43-4

para-chlorotoluene

4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: nitric acid / 70 °C
2: nitric acid / 50 °C
3: thionyl chloride / N,N-dimethyl-formamide / 75 - 80 °C
4: ammonia / 130 - 135 °C / 4500.45 - 5250.53 Torr
5: sulfur; sodium hydroxide / methanol / 78 - 80 °C
View Scheme
para-chlorobenzoic acid
74-11-3

para-chlorobenzoic acid

4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: nitric acid / 50 °C
2: thionyl chloride / N,N-dimethyl-formamide / 75 - 80 °C
3: ammonia / 130 - 135 °C / 4500.45 - 5250.53 Torr
4: sulfur; sodium hydroxide / methanol / 78 - 80 °C
View Scheme
4-chloro-3-nitrobenzoate
96-99-1

4-chloro-3-nitrobenzoate

4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: thionyl chloride / N,N-dimethyl-formamide / 75 - 80 °C
2: ammonia / 130 - 135 °C / 4500.45 - 5250.53 Torr
3: sulfur; sodium hydroxide / methanol / 78 - 80 °C
View Scheme
4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

4,4'-dibromobenzil
35578-47-3

4,4'-dibromobenzil

(2,3-bis(4-bromophenyl)quinoxalin-6-yl)(phenyl)methanone
1352635-46-1

(2,3-bis(4-bromophenyl)quinoxalin-6-yl)(phenyl)methanone

Conditions
ConditionsYield
With titanium(IV) oxide In 1,2-dichloro-ethane at 25℃; for 0.5h;99%
With niobium pentachloride In ethanol at 20℃; for 0.0833333h;94%
With acetic acid Reflux;90%
With acetic acid for 8h; Reflux;80%
4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

dimethylglyoxal
431-03-8

dimethylglyoxal

(2,3-dimethylquinoxalin-6-yl)(phenyl)methanone
119426-73-2

(2,3-dimethylquinoxalin-6-yl)(phenyl)methanone

Conditions
ConditionsYield
In neat (no solvent) at 24.84℃;98%
With 1-methyl-3-(3-trimethoxysilylpropyl)imidazolium hydrogen sulfate immobilized on cellulose In water at 20℃; for 0.0833333h; Green chemistry;97%
With PEG-400 at 110℃; for 0.416667h; Neat (no solvent);92%
4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

furil
492-94-4

furil

(2,3-di(furan-2-yl)quinoxalyn-6-yl)(phenyl)methanone

(2,3-di(furan-2-yl)quinoxalyn-6-yl)(phenyl)methanone

Conditions
ConditionsYield
With gallium(III) triflate In ethanol at 20℃; for 0.166667h;98%
With H3PMo12O40 nanoparticles immobilized on imidazole functionalized core-shell Fe3O4(at)SiO2 nanoparticle In ethanol at 20℃; for 0.333333h; Green chemistry;95%
With titanium(IV) oxide In 1,2-dichloro-ethane at 25℃; for 1.25h;91%
glycolic Acid
79-14-1

glycolic Acid

4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

(2-hydroxymethyl-1(3)H-benzoimidazol-5-yl)-phenyl-methanone
66353-67-1

(2-hydroxymethyl-1(3)H-benzoimidazol-5-yl)-phenyl-methanone

Conditions
ConditionsYield
With hydrogenchloride In water at 100℃; for 2h;98%
4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

9,10-phenanthrenequinone
84-11-7

9,10-phenanthrenequinone

11-benzoyldibenzophenazine

11-benzoyldibenzophenazine

Conditions
ConditionsYield
With tungstate sulfuric acid at 20℃; for 0.333333h; Neat (no solvent);98%
With lithium chloride In ethanol at 20℃; for 0.666667h;97%
With lead(II) chloride In ethanol at 20℃; for 0.25h;97%
4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

acenaphthene quinone
82-86-0

acenaphthene quinone

11-benzoyldibenzophenazine

11-benzoyldibenzophenazine

Conditions
ConditionsYield
With magnesium sulfate heptahydrate In ethanol at 20℃; for 0.166667h;98%
4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

4-dimethylamino-benzaldehyde
100-10-7

4-dimethylamino-benzaldehyde

[2-(4-dimethylamino-phenyl)-1H-benzoimidazol-5-yl](phenyl)methanone

[2-(4-dimethylamino-phenyl)-1H-benzoimidazol-5-yl](phenyl)methanone

Conditions
ConditionsYield
With sodium metabisulfite In ethanol; water at 20℃; for 2h;98%
5-iodovaniline
5438-36-8

5-iodovaniline

4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

(2-(4-hydroxy-3-iodo-5-methoxyphenyl)-1H-benzoimidazol-5-yl)(phenyl)methanone

(2-(4-hydroxy-3-iodo-5-methoxyphenyl)-1H-benzoimidazol-5-yl)(phenyl)methanone

Conditions
ConditionsYield
With sodium metabisulfite In ethanol; water at 20℃; for 2h;98%
4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

benzil
134-81-6

benzil

6-benzoyl-2,3-diphenylquinoxaline
150252-47-4

6-benzoyl-2,3-diphenylquinoxaline

Conditions
ConditionsYield
With silica gel at 20 - 100℃; for 2h; Neat (no solvent);97%
With 1-methyl-3-(3-trimethoxysilylpropyl)imidazolium hydrogen sulfate immobilized on cellulose In water at 20℃; for 0.166667h; Green chemistry;97%
With gallium(III) triflate In ethanol at 20℃; for 0.333333h;95%
4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

4-Nitrophenyl isocyanate
100-28-7

4-Nitrophenyl isocyanate

C20H16N4O4
1315320-49-0

C20H16N4O4

Conditions
ConditionsYield
In dichloromethane at 20℃; for 24h;97%
4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

furoin
552-86-3

furoin

(2,3-di(furan-2-yl)quinoxalyn-6-yl)(phenyl)methanone

(2,3-di(furan-2-yl)quinoxalyn-6-yl)(phenyl)methanone

Conditions
ConditionsYield
With [P4-VP]-PdNPs In N,N-dimethyl-formamide at 120℃; for 0.0833333h; Reflux;97%
With silica sulfuric acid; PEG-400 at 120℃; for 6h;52%
carbon disulfide
75-15-0

carbon disulfide

4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

(2-mercapto-1H-benzo[d]imidazol-6-yl)(phenyl)methanone
92685-57-9

(2-mercapto-1H-benzo[d]imidazol-6-yl)(phenyl)methanone

Conditions
ConditionsYield
With sodium hydroxide In ethanol; water for 3h; Reflux;96.8%
With sodium hydroxide In ethanol Reflux;96.8%
Stage #1: carbon disulfide With potassium hydroxide In methanol Reflux;
Stage #2: 4-benzoylbenzene-1,2-diamine In methanol for 10h; Reflux;
69%
4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

3,3,6,6-tetrachloro-1,2-cyclohexanedione
96147-14-7

3,3,6,6-tetrachloro-1,2-cyclohexanedione

7-benzoyl-1,1,4,4-tetrachloro-1,2,3,4-tetrahydrophenazine

7-benzoyl-1,1,4,4-tetrachloro-1,2,3,4-tetrahydrophenazine

Conditions
ConditionsYield
In chloroform for 1h; Ambient temperature;96%
4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

4-isothiocyanato-4-methylpentan-2-one
27248-25-5

4-isothiocyanato-4-methylpentan-2-one

[4-amino-3-(4,4,6-trimethyl-2-thioxo-3,4-dihydro-2H-pyrimidin-1-yl)-phenyl]-phenyl-methanone

[4-amino-3-(4,4,6-trimethyl-2-thioxo-3,4-dihydro-2H-pyrimidin-1-yl)-phenyl]-phenyl-methanone

Conditions
ConditionsYield
In tetrahydrofuran for 48h; Ambient temperature;96%
dimethyl N-benzoyldithiocarbonimidate
24786-18-3

dimethyl N-benzoyldithiocarbonimidate

4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

N-(5-benzoyl-1H-benzimidazol-2-yl)benzamide

N-(5-benzoyl-1H-benzimidazol-2-yl)benzamide

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 150℃; for 9h;96%
di-tert-butyl dicarbonate
24424-99-5

di-tert-butyl dicarbonate

4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

N, N'-di-(tert-butoxycarbonyl)-3,4-diaminobenzophenone
1282523-82-3

N, N'-di-(tert-butoxycarbonyl)-3,4-diaminobenzophenone

Conditions
ConditionsYield
With guanidine hydrochloride In ethanol at 35 - 40℃; for 3.5h;96%
4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

1,3-Dichloroacetone
534-07-6

1,3-Dichloroacetone

2,2-bis(chloromethyl)-5-benzoyl-2,3-dihydro-1H-benzo[d]imidazole
1093377-34-4

2,2-bis(chloromethyl)-5-benzoyl-2,3-dihydro-1H-benzo[d]imidazole

Conditions
ConditionsYield
at 60℃; for 0.25h; Neat (no solvent); grinding;96%
4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

benzaldehyde
100-52-7

benzaldehyde

phenyl (2-phenyl-1H-benzo[d]imidazol-5-yl)methanone
129545-20-6

phenyl (2-phenyl-1H-benzo[d]imidazol-5-yl)methanone

Conditions
ConditionsYield
With vanadium(IV)-salen complex nanoparticles immobilized onto silica In ethanol at 20℃; for 6h;95%
With ammonium acetate In ethanol at 75℃; for 7.5h;92%
With air In ethanol at 20℃; for 5.5h;90%
4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

5-Benzoylbenzotriazole
107508-46-3

5-Benzoylbenzotriazole

Conditions
ConditionsYield
With acetic acid; sodium nitrite In water at 20℃; for 12h;95%
With acetic acid In water at 70 - 80℃; for 0.466667h;87%
4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

acenaphthene quinone
82-86-0

acenaphthene quinone

9-benzoylacenaphtho<1,2-b>quinoxaline

9-benzoylacenaphtho<1,2-b>quinoxaline

Conditions
ConditionsYield
With niobium pentachloride In ethanol at 20℃; for 0.0666667h;95%
With lithium chloride In ethanol at 20℃; for 0.75h;95%
With lead(II) chloride In ethanol at 20℃; for 0.333333h;95%
4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

2-hydroxy-2-phenylacetophenone
119-53-9

2-hydroxy-2-phenylacetophenone

6-benzoyl-2,3-diphenylquinoxaline
150252-47-4

6-benzoyl-2,3-diphenylquinoxaline

Conditions
ConditionsYield
With [P4-VP]-PdNPs In N,N-dimethyl-formamide at 120℃; for 0.116667h; Reflux;95%
With potassium permanganate; copper(II) sulfate In ethanol for 2.5h; Reflux;87%
With potassium fluoride on basic alumina at 80℃; for 7h;79%
With silica sulfuric acid; PEG-400 at 120℃; for 6h;51%
With oxygen In ethanol at 70℃; for 6h; Schlenk technique; Sealed tube; Green chemistry;
4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

2,2-dihydroxy-1-phenyl-ethanone
1075-06-5

2,2-dihydroxy-1-phenyl-ethanone

[2-(4-phenyl)quinoxalin-6-yl](phenyl)methanone
1338368-84-5

[2-(4-phenyl)quinoxalin-6-yl](phenyl)methanone

Conditions
ConditionsYield
With lithium chloride In ethanol at 20℃; for 0.666667h;95%
With lead(II) chloride In ethanol at 20℃; for 0.333333h; Reagent/catalyst;95%
With titanium(IV) oxide In 1,2-dichloro-ethane at 25℃; for 1.16667h;90%
Trimethyl orthoacetate
1445-45-0

Trimethyl orthoacetate

4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

5-benzoyl-2-methyl benzimidazole
97375-60-5

5-benzoyl-2-methyl benzimidazole

Conditions
ConditionsYield
With silica choride at 80℃; for 0.3h;95%
With iron(II,III) oxide at 80℃; for 0.166667h;88%
With tungstate sulfuric acid In neat (no solvent) at 80℃; for 0.583333h; Green chemistry;85%
2,2-dihydroxy-1-(3-methoxyphenyl)ethanone
1201806-19-0

2,2-dihydroxy-1-(3-methoxyphenyl)ethanone

4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

3-(3-methoxyphenyl)-7-benzoylquinoxaline

3-(3-methoxyphenyl)-7-benzoylquinoxaline

Conditions
ConditionsYield
With lead(II) chloride In ethanol at 20℃; for 0.333333h; Reagent/catalyst;95%
4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

O-methyl-N-(methoxycarbonyl)-isourea
40943-37-1

O-methyl-N-(methoxycarbonyl)-isourea

mebendazole
31431-39-7

mebendazole

Conditions
ConditionsYield
With acetic acid In toluene95%
With hydrogenchloride In chloroform Cooling with ice; Reflux;
Cyclohexyl isocyanide
931-53-3

Cyclohexyl isocyanide

trimethylsilylazide
4648-54-8

trimethylsilylazide

4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

cyclohexanone
108-94-1

cyclohexanone

{4a'-(1-cyclohexyl-1H-tetrazol-5-yl)-1',2',3',4',4a',5',10',11a'-octahydrospiro[cyclohexane-1,11'-dibenzo[b,e][1,4]diazepine]-7'-yl}(phenyl)methanone
1374754-04-7

{4a'-(1-cyclohexyl-1H-tetrazol-5-yl)-1',2',3',4',4a',5',10',11a'-octahydrospiro[cyclohexane-1,11'-dibenzo[b,e][1,4]diazepine]-7'-yl}(phenyl)methanone

Conditions
ConditionsYield
With NiO39PW11(5-)*5C8H15N2(1+)*3H2O In methanol at 20℃; for 4h;95%
m-bromobenzoic aldehyde
3132-99-8

m-bromobenzoic aldehyde

4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

(2-(3-bromophenyl)-1H-benzo[d]imidazol-6-yl)(phenyl)methanone

(2-(3-bromophenyl)-1H-benzo[d]imidazol-6-yl)(phenyl)methanone

Conditions
ConditionsYield
With nickel diacetate In chloroform at 60℃; Microwave irradiation; Green chemistry;95%
4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

1,2-bis(4-methoxyphenyl)-1,2-ethanedione
1226-42-2

1,2-bis(4-methoxyphenyl)-1,2-ethanedione

(2,3-bis(4-methoxyphenyl)quinoxalin-6-yl)(phenyl)methanone

(2,3-bis(4-methoxyphenyl)quinoxalin-6-yl)(phenyl)methanone

Conditions
ConditionsYield
With titanium(IV) oxide In 1,2-dichloro-ethane at 25℃; for 1.5h;94%
With zirconium triflate In ethanol; water at 20℃; for 0.333333h; Green chemistry;94%
With H3PMo12O40 nanoparticles immobilized on imidazole functionalized core-shell Fe3O4(at)SiO2 nanoparticle In ethanol at 20℃; for 0.333333h; Green chemistry;93%
2,2'-Pyridil
492-73-9

2,2'-Pyridil

4-benzoylbenzene-1,2-diamine
39070-63-8

4-benzoylbenzene-1,2-diamine

phenyl(2,3-di(pyridin-2-yl)quinoxalin-6-yl)methanone
246518-07-0

phenyl(2,3-di(pyridin-2-yl)quinoxalin-6-yl)methanone

Conditions
ConditionsYield
With PEG-400 at 110℃; for 1h; Neat (no solvent);94%
With polyethylene glycol-400 at 120℃; for 0.0833333h; Microwave irradiation;91%
In glycerol at 90℃; for 0.133333h; Microwave irradiation; Green chemistry;86%

39070-63-8Relevant articles and documents

A preparing method of a mebendazole intermediate (3,4-diaminophenyl)phenyl methanone

-

Paragraph 0064-0066, (2017/06/14)

A preparing method of a mebendazole intermediate (3,4-diaminophenyl)phenyl methanone is disclosed. The method includes adding 4-amino-3-nitro diphenylmethanone and a catalyst into an organic solvent, adding a hydrogen donor, and performing transfer hydrogenation reduction to obtain the (3,4-diaminophenyl)phenyl methanone, wherein the catalyst is a Pd-X/C catalyst, and the X is one of Ni, Ru, La, Ce, Co, Li, K, Mg, Ti, Cu or Mo. The method has advantages of mild conditions, simple operation, a high reduction rate, a low cost, high environment protection performance, easy industrial production, and the like.

Design and synthesis of a novel candidate compound NTI-007 targeting sodium taurocholate cotransporting polypeptide [NTCP]-APOA1-HBx-Beclin1-mediated autophagic pathway in HBV therapy

Zhang, Jin,Fu, Lei-Lei,Tian, Mao,Liu, Hao-Qiu,Li, Jing-Jing,Li, Yan,He, Jun,Huang, Jian,Ouyang, Liang,Gao, Hui-Yuan,Wang, Jin-Hui

, p. 976 - 984 (2015/03/04)

Sodium taurocholate cotransporting polypeptide (NTCP) is a multiple transmembrane transporter predominantly expressed in the liver, functioning as a functional receptor for HBV. Through our continuous efforts to identify NTCP as a novel HBV target, we designed and synthesized a series of new compounds based on the structure of our previous compound NT-5. Molecular docking and MD simulation validated that a new compound named NTI-007 can tightly bind to NTCP, whose efficacy was also measured in vitro virological examination and cytotoxicity studies. Furthermore, autophagy was observed in NTI-007 incubated HepG2.2.15 cells, and results of q-PCR and Western blotting revealed that NTI-007 induced autophagy through NTCP-APOA1-HBx-Beclin1-mediated pathway. Taken together, considering crucial role of NTCP in HBV infection, NTCP-mediated autophagic pathway may provide a promising strategy of HBV therapy and given efficacy of NTI-007 triggering autophagy. Our study suggests pre-clinical potential of this compound as a novel anti-HBV drug candidate.

6-Lithioquinoxalines and Their Transformations

Dobrodei,El'tsov

, p. 620 - 629 (2007/10/03)

6-Bromo-2,3-diphenylquinoxaline reacts with butyllithium to give the 6-lithio derivative in a yield of more than 80%, which reacts with electrophiles such as benzophenone, Michler ketone, methyl ethyl ketone, iodine, selenium, and dimethylformamide to give the corresponding quinoxaline derivatives. 6-Bromo-2,3-dimethylquinoxaline is metallated with butyl- and phenyllithium at the methyl groups and benzene ring. These organolithium compounds react with benzophenone to give the corresponding diphenyl- and triaryl-carbinols, whose yield and ratio were determined by HPLC. These results open prospects for preparing new quinoxaline derivatives substituted at the annelated benzene ring.

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