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| CAS No.: | 53145-38-3 |
|---|---|
| Name: | 2-Chloro-6-fluoroanisole |
| Article Data: | 2 |
| Molecular Structure: | |
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|
|
| Formula: | C7H6ClFO |
| Molecular Weight: | 160.575 |
| Synonyms: | 1-Chloro-3-fluoro-2-Methoxybenzene;1-Chloro-3-fluoro-2-methoxybenzene, 2-Chloro-6-fluorophenyl methyl ether |
| Density: | 1.239 g/cm3 |
| Boiling Point: | 186.4 °C at 760 mmHg |
| Flash Point: | 66.5 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 9.23000 |
| LogP: | 2.48770 |
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- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 548773-13-32-amino-4,6-dimethylpyrimidine-5-carboxylic acid
| Conditions | Yield |
|---|---|
| With potassium carbonate In tetrahydrofuran at 20℃; for 3h; | 94% |
- 3209-22-1
1,2-Dichloro-3-nitrobenzene
- 53145-38-3
1-chloro-3-fluoro-2-methoxybenzene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1.1: diisopropylamine / methanol / 5 h / 60 °C 2.1: hydrogen; 1% platinum on charcoal / toluene / 18 h / 40 °C / 3375.34 Torr / Autoclave 3.1: hydrogenchloride / water / 0.5 h / 50 °C 3.2: 2 h / 0 °C 3.3: 1 h View Scheme |
- 51114-68-2
3-chloro-2-methoxyaniline
- 53145-38-3
1-chloro-3-fluoro-2-methoxybenzene
| Conditions | Yield |
|---|---|
| Stage #1: 3-chloro-2-methoxyaniline With hydrogenchloride In water at 50℃; for 0.5h; Stage #2: With sodium nitrite In water at 0℃; for 2h; Stage #3: With tetrafluoroboric acid In water for 1h; Temperature; Reagent/catalyst; | 26 g |
- 53145-38-3
1-chloro-3-fluoro-2-methoxybenzene
- 944129-07-1
(4-chloro-2-fluoro-3-methoxy-phenyl)boronic acid
| Conditions | Yield |
|---|---|
| Stage #1: 1-chloro-3-fluoro-2-methoxybenzene With n-butyllithium In 1,2-dimethoxyethane at -78 - -70.1℃; for 1.75h; Stage #2: With Trimethyl borate In 1,2-dimethoxyethane at -67 - 20℃; Time; Temperature; Further stages; | 93% |
| Multi-step reaction with 2 steps 1.1: n-butyllithium / 1,2-dimethoxyethane; hexane / 1.75 h / -77 - -70.1 °C / Inert atmosphere 1.2: 1.37 h / -74.1 - 23.1 °C 2.1: potassium hydroxide; water / 1,2-dimethoxyethane / 2 h / 30 °C / Cooling View Scheme |
- 121-43-7
Trimethyl borate
- 53145-38-3
1-chloro-3-fluoro-2-methoxybenzene
- 944129-07-1
(4-chloro-2-fluoro-3-methoxy-phenyl)boronic acid
| Conditions | Yield |
|---|---|
| With n-butyllithium In tetrahydrofuran; hexane; cyclohexane at -50℃; Flow reactor; | 92% |
| Stage #1: 1-chloro-3-fluoro-2-methoxybenzene With n-butyllithium In 1,2-dimethoxyethane at -65℃; Inert atmosphere; Stage #2: Trimethyl borate In 1,2-dimethoxyethane at -65 - 30℃; Time; Inert atmosphere; |
- 61676-62-8
2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- 53145-38-3
1-chloro-3-fluoro-2-methoxybenzene
- 1126321-06-9
2-(4-chloro-2-fluoro-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
| Conditions | Yield |
|---|---|
| With n-butyllithium In tetrahydrofuran; hexane; cyclohexane at -50℃; Flow reactor; | 92% |
- 68-12-2, 33513-42-7
N,N-dimethyl-formamide
- 53145-38-3
1-chloro-3-fluoro-2-methoxybenzene
- 1002344-97-9
4-chloro-2-fluoro-3-methoxybenzaldehyde
| Conditions | Yield |
|---|---|
| With n-butyllithium In tetrahydrofuran; hexane; cyclohexane at -50℃; Flow reactor; | 88% |
- 53145-38-3
1-chloro-3-fluoro-2-methoxybenzene
| Conditions | Yield |
|---|---|
| Stage #1: 5-[(3R)-3-hydroxypyrrolidin-1-yl]-5-methyl-2,2-diphenylhexanenitrile With sodium hydride In N,N-dimethyl-formamide at 0℃; for 1h; Stage #2: 1-chloro-3-fluoro-2-methoxybenzene In N,N-dimethyl-formamide at 60℃; for 96h; Stage #3: With water In ethyl acetate; N,N-dimethyl-formamide | 74% |
| Conditions | Yield |
|---|---|
| Stage #1: 1-chloro-3-fluoro-2-methoxybenzene With n-hexyllithium In tetrahydrofuran; hexane at -60℃; for 1h; Stage #2: With zinc(II) chloride In tetrahydrofuran; hexane at -60 - -10℃; Stage #3: chloroacetyl chloride; copper(l) chloride In tetrahydrofuran; hexane at -10 - 20℃; Further stages.; | 71% |
| Conditions | Yield |
|---|---|
| Stage #1: 1-chloro-3-fluoro-2-methoxybenzene With n-hexyllithium In tetrahydrofuran; hexane at -60℃; for 1h; Stage #2: With zinc(II) chloride In tetrahydrofuran; hexane at -60 - -10℃; Stage #3: Benzyloxyacetyl chloride; copper(l) chloride In tetrahydrofuran; hexane at -10 - 20℃; Further stages.; | 70% |
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Specification
The 2-Chloro-6-fluoroanisole, with the CAS registry number 53145-38-3, is also known as ZINC02382266. This chemical's molecular formula is C7H6ClFO and molecular weight is 160.573343. Its IUPAC name is called 1-chloro-3-fluoro-2-methoxybenzene. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of 2-Chloro-6-fluoroanisole: (1)ACD/LogP: 2.24; (2)ACD/LogD (pH 5.5): 2.24; (3)ACD/LogD (pH 7.4): 2.24; (4)ACD/BCF (pH 5.5): 29.64; (5)ACD/BCF (pH 7.4): 29.64; (6)ACD/KOC (pH 5.5): 393.68; (7)ACD/KOC (pH 7.4): 393.68; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.495; (11)Molar Refractivity: 37.82 cm3; (12)Molar Volume: 129.5 cm3; (13)Surface Tension: 31.4 dyne/cm; (14)Density: 1.239 g/cm3; (15)Flash Point: 66.5 °C; (16)Enthalpy of Vaporization: 40.53 kJ/mol; (17)Boiling Point: 186.4 °C at 760 mmHg; (18)Vapour Pressure: 0.913 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=CC=C1Cl)F
(2)InChI: InChI=1S/C7H6ClFO/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3
(3)InChIKey: QASFEHCRPLPGES-UHFFFAOYSA-N