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Cas Database |
| Name |
2-Amino-5-chloro-2'-fluorobenzophenone |
EINECS | 212-316-8 |
| CAS No. | 784-38-3 | Density | 1.342 g/cm3 |
| PSA | 43.09000 | LogP | 3.87350 |
| Solubility | N/A | 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 | N/A | 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); |
Article Data | 23 |
2-Amino-5-chloro-2'-fluorobenzophenone 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 | 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
B
- 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone
| 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 | 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 | 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; |
- 784-38-3
2-amino-5-chloro-2'-fluorobenzophenone
| 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 | 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 |
| 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 | Yield |
|---|---|
| With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.5h; Inert atmosphere; |
| 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 | 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% |
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
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