2-Amino-5-chloro-2'-fluorobenzophenone supplier

Name
2-Amino-5-chloro-2'-fluorobenzophenone
EINECS 212-316-8
CAS No. 784-38-3
Article Data23
CAS DataBase
Density 1.342 g/cm³
Solubility
Melting Point 93-97 °C
Formula C₁₃H₉ClFNO
Boiling Point 432.2 °C at 760 mmHg
Molecular Weight 249.672
Flash Point 215.2 °C
Transport Information
Appearance yellow fine powder
Safety 24/25-26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Benzophenone,2-amino-5-chloro-2'-fluoro- (7CI,8CI);
PSA 43.09000
LogP 3.87350

Synthetic route

: 5922-60-1
2-amino-5-chlorobenzonitrile

: 1993-03-9
o-fluorophenylboronic acid

: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

Conditions

Conditions	Yield
With 5,5'-dimethyl-2,2'-bipyridine; methanesulfonic acid; palladium(II) trifluoroacetate; water In 2-methyltetrahydrofuran at 80℃; for 36h; Schlenk technique;	64%
With [2,2]bipyridinyl; methanesulfonic acid; palladium(II) trifluoroacetate In tetrahydrofuran; water at 80℃; for 36h;

: 74173-87-8
2-amino-5-chloro-α-(2-fluorophenyl)benzenemethanol

: (2-amino-5-chlorophenyl)(2-fluorophenyl)methanol

B: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

Conditions

Conditions	Yield
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; oxygen; copper(II) bis(trifluoromethanesulfonate); (R)-1,1'-binaphthyl-2,2'-diamine In toluene at 80℃; for 18h; optical yield given as %ee;	A n/a B 59%

: 17617-23-1
flurazepam

A: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

B: 2886-65-9
7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2(2H)-one

Conditions

Conditions	Yield
With hydrogenchloride multistep reaction: biotransformation, acid hydrolysis;

: 106-47-8
4-chloro-aniline

: 393-52-2
2-Fluorobenzoyl chloride

: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

Conditions

Conditions	Yield
With zinc(II) chloride at 200 - 230℃; for 3h;
Stage #1: 4-chloro-aniline; 2-Fluorobenzoyl chloride With zinc(II) chloride at 180 - 230℃; Friedel Crafts acylation; Stage #2: With sulfuric acid; acetic acid In water for 0.666667h; Reflux;

: tert-butyl 4-chloro-2-(2-fluorobenzoyl)phenylcarbamate

: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

Conditions

Conditions	Yield
With hydrogenchloride In ethanol; water Reflux;
Stage #1: tert-butyl 4-chloro-2-(2-fluorobenzoyl)phenylcarbamate With hydrogenchloride; water In ethanol Reflux; Stage #2: With sodium hydrogencarbonate In ethanol; water pH=8;

: 18437-66-6
N-(t-butoxycarbonyl)-4-chloroaniline

: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: tert.-butyl lithium / tetrahydrofuran / 1 h / -78 °C / Inert atmosphere 1.2: 1.25 h / -40 °C / Inert atmosphere 2.1: hydrogenchloride; water / ethanol / Reflux 2.2: pH 8 View Scheme

: 106-47-8
4-chloro-aniline

: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: N-ethyl-N,N-diisopropylamine / toluene / 20 °C 2.1: tert.-butyl lithium / tetrahydrofuran / 1 h / -78 °C / Inert atmosphere 2.2: 1.25 h / -40 °C / Inert atmosphere 3.1: hydrogenchloride; water / ethanol / Reflux 3.2: pH 8 View Scheme

: 1072-85-1
o-fluorobromobenzene

: 150879-48-4
N-methyl-N-methyloxy-2-amino-5-chlorobenzamide

: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.5h; Inert atmosphere;

: 4743-17-3
5-Chloroisatoic anhydride

: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: triethylamine / ethanol; water / 0.17 h / 25 °C 1.2: 1.5 h / Reflux 2.1: n-butyllithium / tetrahydrofuran; hexane / 0.5 h / -78 °C / Inert atmosphere View Scheme

: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

: 123-54-6
acetylacetone

: 57262-00-7
1-(6-chloro-4-(2-fluorophenyl)-2-methylquinolin-3-yl)ethan-1-one

Conditions

Conditions	Yield
With magnesium(II) chloride hexahydrate In ethanol at 80℃; for 12h; Reagent/catalyst; Friedlaender Quinoline Synthesis; Schlenk technique;	99%
With 1,3-dimethylimidazolium sulfate monomethyl ester; L-proline at 90℃; for 0.5h; Knoevenagel Condensation; Green chemistry;	96%
With L-proline In neat (no solvent) for 0.15h; Knoevenagel Condensation; Microwave irradiation; Green chemistry;	95%

: 536-74-3
phenylacetylene

: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

: 2-phenyl-4-(2'-fluorophenyl)-6-chloroquinoline

Conditions

Conditions	Yield
With zinc trifluoromethanesulfonate; 1-hexyl-3-methylimidazolium hexafluorophosphate at 80 - 90℃; for 2.5h; Meyer-Schuster rearrangement; Heating;	98%
With propylphosphonium tetrachloroindate ionic liquid supported on nanosilica In neat (no solvent) at 110℃; for 0.583333h;	95%
With indium(III) triflate at 110℃; for 0.0583333h; microwave irradiation;	92%
With potassium dodeca tungstocobaltate trihydrate; hex-1-yne at 110℃; for 0.166667h; Microwave irradiation; neat (no solvent);	90%
Multi-step reaction with 2 steps 1: potassium tert-butylate / neat (no solvent) / 2 h / 20 °C / Inert atmosphere 2: calcium(II) trifluoromethanesulfonate; tert-butylammonium hexafluorophosphate(V) / neat (no solvent) / 2.5 h / 70 °C View Scheme

: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

: 53878-94-7
2-azido-5-chloro-2'-fluorobenzophenone

Conditions

Conditions	Yield
Stage #1: 2-amino-5-chloro-2'-fluorobenzophenone With acetic acid; sodium nitrite In water at 0℃; for 1h; Inert atmosphere; Stage #2: With sodium azide In water at 0 - 20℃; Inert atmosphere;	98%

: 762-42-5
dimethyl acetylenedicarboxylate

: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

: dimethyl 6-chloro-4-(2-fluorophenyl)quinoline-2,3-dicarboxylate

Conditions

Conditions	Yield
With propylphosphonium tetrachloroindate ionic liquid supported on nanosilica In neat (no solvent) at 110℃; for 0.333333h;	98%
With tert-butylammonium hexafluorophosphate(V); calcium(II) trifluoromethanesulfonate In neat (no solvent) at 110℃; for 3h; Green chemistry; regioselective reaction;	85%

: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

: 766-97-2
4-n-methylphenylacetylene

: 1171312-04-1
6-chloro-4-(2-fluorophenyl)-2-(p-tolyl)quinoline

Conditions

Conditions	Yield
With potassium dodeca tungstocobaltate trihydrate at 110℃; for 0.0833333h; Microwave irradiation; neat (no solvent);	96%
Multi-step reaction with 2 steps 1: potassium tert-butylate / neat (no solvent) / 2 h / 20 °C / Inert atmosphere 2: calcium(II) trifluoromethanesulfonate; tert-butylammonium hexafluorophosphate(V) / neat (no solvent) / 4.5 h / 70 °C View Scheme

: 79099-07-3
N-tert-butyloxycarbonylpiperidin-4-one

: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

: 1347747-95-8
C23H22ClFN2O2

Conditions

Conditions	Yield
With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide In ethyl acetate; N,N-dimethyl-formamide at 90℃; Friedlaender reaction; Microwave irradiation;	95%

: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

: 74173-87-8
2-amino-5-chloro-α-(2-fluorophenyl)benzenemethanol

Conditions

Conditions	Yield
With sodium tetrahydroborate In ethanol for 1h; Heating;	94%
With sodium tetrahydroborate In methanol at 0℃;	88%
With sodium borohydrid In methanol; water; Petroleum ether
With sodium tetrahydroborate

: 122-51-0
orthoformic acid triethyl ester

: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

: 55075-93-9
6-chloro-4-(2’-fluorophenyl)quinazoline

Conditions

Conditions	Yield
With ammonium acetate In neat (no solvent) at 110℃; for 2h; Green chemistry;	93%

: 765-87-7
cyclohexane-1,2-dione

: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

: 7-chloro-9-(2'-fluorophenyl)-2,3-dihydro-1H-acridin-4-one

Conditions

Conditions	Yield
With indium(III) chloride; 1-butyl-3-methylimidazolium Tetrafluoroborate at 100℃; for 2h;	92%
With sulfuric acid; silica gel In methanol for 2.5h; Friedlaender Quinoline Synthesis; Reflux;	90%
With eaton’s reagent In neat (no solvent) at 90℃; for 3h;	82%

: 431-03-8
dimethylglyoxal

: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

: 2-acetyl-6-chloro-4-(2'-fluorophenyl)-quinoline

Conditions

Conditions	Yield
With indium(III) triflate; 1-butyl-3-methylimidazolium Tetrafluoroborate at 100℃; for 2h; Friedlaender Quinoline Synthesis; Ionic liquid;	92%

: 598-21-0
2-Bromoacetyl bromide

: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

: 1584-62-9
2‑(2‑bromoacetamido)‑5‑chloro‑2'‑fluorobenzophenone

Conditions

Conditions	Yield
In dichloromethane at 0℃; for 4h;	90%
In diethyl ether at 10℃; for 2h;
With water In dichloromethane at 20℃;
In acetonitrile chemoselective reaction;

: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

: 308243-40-5
4-chlorocarbonyl-4-(9H-fluoren-9-ylmethoxycarbonylamino)-butyric acid methyl ester

: 308243-58-5
4-[4-chloro-2-(2-fluoro-benzoyl)-phenylcarbamoyl]-4-(9H-fluoren-9-ylmethoxycarbonylamino)-butyric acid methyl ester

Conditions

Conditions	Yield
In diethyl ether; chloroform for 0.5h; Heating / reflux;	90%
In chloroform Heating;

: 768-70-7
1-ethynyl-3-methoxybenzene

: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

: 1093164-46-5
6-chloro-4-(2-fluorophenyl)-2-(3-methoxyphenyl)-quinoline

Conditions

Conditions	Yield
With potassium dodeca tungstocobaltate trihydrate at 110℃; for 0.166667h; Microwave irradiation; neat (no solvent);	90%

: 127-09-3
sodium acetate

: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

: 57698-59-6
N-[4-chloro-2-(2-fluorobenzoyl)phenyl]acetamide

Conditions

Conditions	Yield
With acetic anhydride at 80℃; for 1h;	90%

: 504-02-9
1,3-cylohexanedione

: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

: C19H13ClFNO

Conditions

Conditions	Yield
With sulfuric acid; silica gel In methanol for 2.5h; Friedlaender Quinoline Synthesis; Reflux;	90%
With hydrogenchloride In water at 20℃; for 5h; Friedlaender Quinoline Synthesis;	82%

: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

: (Z)-2-amino-5-chloro-4-((4-chloro-2-(2-fluoro benzoyl)phenyl)imino)-3-(2-fluorobenzoyl)cyclohexa-2,5-dien-1-one

Conditions

Conditions	Yield
With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In dimethyl sulfoxide at 27 - 30℃; for 0.583333h; chemoselective reaction;	87%

: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

: 768-60-5
4-methoxyphenylacetylen

: 1093164-45-4
6-chloro-4-(2-fluorophenyl)-2-(4-methoxyphenyl)quinoline

Conditions

Conditions	Yield
With potassium dodeca tungstocobaltate trihydrate at 110℃; for 0.25h; Microwave irradiation; neat (no solvent);	86%

: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

: 196929-78-9
(R)-2-methylpropane-2-sulfinamide

: C17H18ClFN2OS

Conditions

Conditions	Yield
With titanium(IV) isopropylate In tetrahydrofuran at 122℃; for 0.666667h; Microwave irradiation;	86%
With titanium(IV) isopropylate In tetrahydrofuran for 2h; Reagent/catalyst; Solvent; Microwave irradiation;	85%

: 78-39-7
Triethyl orthoacetate

: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

: 6-chloro-4-(2-fluorophenyl)-2-methylquinazoline

Conditions

Conditions	Yield
With ammonium acetate In neat (no solvent) at 110℃; for 2h; Green chemistry;	86%

: 1779-49-3
Methyltriphenylphosphonium bromide

: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

: 488828-89-3
4-chloro-2-(1-(2-fluorophenyl)vinyl)aniline

Conditions

Conditions	Yield
Stage #1: Methyltriphenylphosphonium bromide With potassium tert-butylate In tetrahydrofuran at 0 - 20℃; for 0.5h; Schlenk technique; Inert atmosphere; Stage #2: 2-amino-5-chloro-2'-fluorobenzophenone In tetrahydrofuran at 0 - 20℃; Schlenk technique; Inert atmosphere;	85%
Stage #1: Methyltriphenylphosphonium bromide With potassium tert-butylate In tetrahydrofuran at 0℃; for 0.666667h; Schlenk technique; Inert atmosphere; Stage #2: 2-amino-5-chloro-2'-fluorobenzophenone In tetrahydrofuran at 0 - 20℃; Schlenk technique; Inert atmosphere;	85%
Stage #1: Methyltriphenylphosphonium bromide With potassium 2-methylbutan-2-olate In tetrahydrofuran at 20℃; for 0.5h; Stage #2: 2-amino-5-chloro-2'-fluorobenzophenone In tetrahydrofuran at 20℃; Further stages.;	80%

: 108-94-1
cyclohexanone

: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

: 7-chloro-9-(2-fluoro-phenyl)-1,2,3,4-tetrahydro-acridine

Conditions

Conditions	Yield
With bismuth(lll) trifluoromethanesulfonate In ethanol at 20℃; for 5.5h;	85%
With hydrogenchloride In water at 20℃; for 6h; Friedlaender Quinoline Synthesis;	84%

: 2216-94-6
phenylpropynoic acid ethyl ester

: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

: 1350934-76-7
ethyl 6-chloro-4-(2-fluorophenyl)-2-phenylquinoline-3-carboxylate

Conditions

Conditions	Yield
With tert-butylammonium hexafluorophosphate(V); calcium(II) trifluoromethanesulfonate In neat (no solvent) at 110℃; for 4.5h; Green chemistry; regioselective reaction;	85%
With (triphenylphosphine)gold(I) chloride; silver trifluoromethanesulfonate In N,N-dimethyl-formamide at 100℃; for 2h; Inert atmosphere;	80%

: 1426307-47-2
N,N-bis(4-chlorophenacyl)-4-chloroaniline

: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

A: 1426307-56-3
[5-chloro-3-(2-fluorophenyl)-1H-2-indolyl](4-chlorophenyl)methanone

B: 106-47-8
4-chloro-aniline

Conditions

Conditions	Yield
With camphor-10-sulfonic acid In ethanol for 1.6h; Reflux;	A 84% B n/a

...Expand

: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

: 707-07-3
orthobenzoic acid trimethyl ester

: 1283751-57-4
6-chloro-2-phenyl-4-(2-fluorophenyl)quinazoline

Conditions

Conditions	Yield
With ammonium acetate In neat (no solvent) at 110℃; for 2.5h; Green chemistry;	84%

: 41120-12-1
N,N-diphenacylaniline

: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

A: 1426307-55-2
[5-chloro-3-(2-fluorophenyl)-1H-2-indolyl](phenyl)methanone

B: 62-53-3
aniline

Conditions

Conditions	Yield
With camphor-10-sulfonic acid In ethanol for 2h; Reflux;	A 82% B n/a

...Expand

: 141-97-9
ethyl acetoacetate

: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

: ethyl 6-chloro-4-(2-fluorophenyl)-2-methyl-3-quinolinecarboxylate

Conditions

Conditions	Yield
With hydrogenchloride In water at 20℃; for 16h; Friedlaender Quinoline Synthesis;	81%
With bismuth(lll) trifluoromethanesulfonate In ethanol at 20℃; for 6h;	72%

: 932022-91-8
N,N-bis(4-chlorinephenacyl)aniline

: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

A: 1426307-56-3
[5-chloro-3-(2-fluorophenyl)-1H-2-indolyl](4-chlorophenyl)methanone

B: 62-53-3
aniline

Conditions

Conditions	Yield
With camphor-10-sulfonic acid In ethanol for 2.1h; Reflux;	A 81% B n/a

...Expand

: 600-14-6
2,3-Pentanedione

: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

: 6-chloro-4-(2'-fluorophenyl)-2-propanoylquinoline

Conditions

Conditions	Yield
With indium(III) triflate; 1-butyl-3-methylimidazolium Tetrafluoroborate at 100℃; for 2h; Friedlaender Quinoline Synthesis; Ionic liquid;	81%

: 75-91-2
tert.-butylhydroperoxide

: 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone

: 55075-93-9
6-chloro-4-(2’-fluorophenyl)quinazoline

Conditions

Conditions	Yield
With ammonium acetate; caesium carbonate In water; acetonitrile at 80℃; for 12h;	81%

2-Amino-5-chloro-2'-fluorobenzophenone Specification

The Methanone,(2-amino-5-chlorophenyl)(2-fluorophenyl)-, with its CAS registry number 784-38-3, has the IUPAC name of (2-amino-5-chlorophenyl)-(2-fluorophenyl)methanone. This is a kind of yellow fine powder, and it could be used in the synthesis of diazepam and other benzodiazepines. Besides, its product categories are including Fine Chemical & Intermediates; Aromatic Benzophenones & Derivatives (substituted); Flurazepam; Aromatics; Heterocycles; C13 to C14; Carbonyl Compounds; Ketones.

The characteristics of Methanone,(2-amino-5-chlorophenyl)(2-fluorophenyl)- are as follows: (1)ACD/LogP: 3.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.15; (4)ACD/LogD (pH 7.4): 3.15; (5)ACD/BCF (pH 5.5): 145.38; (6)ACD/BCF (pH 7.4): 145.38; (7)ACD/KOC (pH 5.5): 1228.94; (8)ACD/KOC (pH 7.4): 1228.94; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.31; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 65.17 cm³; (15)Molar Volume: 185.9 cm³; (16)Polarizability: 25.83×10^-24 cm³; (17)Surface Tension: 50.4 dyne/cm; (18)Density: 1.342 g/cm³; (19)Flash Point: 215.2 °C; (20)Enthalpy of Vaporization: 68.79 kJ/mol; (21)Boiling Point: 432.2 °C at 760 mmHg; (22)Vapour Pressure: 1.13E-07 mmHg at 25°C; (23)Exact Mass: 249.03567; (24)MonoIsotopic Mass: 249.03567; (25)Topological Polar Surface Area: 43.1; (26)Heavy Atom Count: 17; (27)Complexity: 287.

When you are dealing with this chemical, you should be careful. This is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection, and then avoid contacting with skin and eyes. And then in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Cl)N)F
(2)InChI: InChI=1S/C13H9ClFNO/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7H,16H2
(3)InChIKey: GTGMXPIQRQSORU-UHFFFAOYSA-N

Product Name

2-Amino-5-chloro-2'-fluorobenzophenone

Synthetic route

2-Amino-5-chloro-2'-fluorobenzophenone Specification

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