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| CAS No.: | 461432-23-5 |
|---|---|
| Name: | 5-bromo-2-chloro-4’-ethoxydiphenylmethane |
| Molecular Structure: | |
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| Formula: | C15H14BrClO |
| Molecular Weight: | 325.633 |
| Synonyms: | 4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene;4-Bromo-1-chloro-2-(4-ethoxybenzyl)benzene; |
| EINECS: | 636-921-5 |
| Density: | 1.371 g/cm3 |
| Boiling Point: | 392.976 °C at 760 mmHg |
| Flash Point: | 191.465 °C |
| PSA: | 9.23000 |
| LogP: | 5.09200 |
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- 461432-22-4
(5-bromo-2-chlorophenyl)(4-ethyloxyphenyl)methanone
- 461432-23-5
4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene
| Conditions | Yield |
|---|---|
| With triethylsilane; boron trifluoride diethyl etherate In 1,2-dichloro-ethane; acetonitrile at 0 - 50℃; for 3h; | 97% |
| Stage #1: (5-bromo-2-chlorophenyl)(4-ethyloxyphenyl)methanone With sodium tetrahydroborate In dichloromethane; acetonitrile at 30 - 40℃; for 0.5h; Stage #2: With chloro-trimethyl-silane In dichloromethane; acetonitrile at 30 - 40℃; for 3h; Stage #3: With boron trifluoride diethyl etherate In dichloromethane; acetonitrile at 0 - 35℃; for 8h; Inert atmosphere; | 96% |
| Stage #1: (5-bromo-2-chlorophenyl)(4-ethyloxyphenyl)methanone With sodium tetrahydroborate In tetrahydrofuran at 10 - 15℃; for 0.5h; Inert atmosphere; Industry scale; Stage #2: With aluminum (III) chloride In tetrahydrofuran at -5 - 70℃; for 20h; Inert atmosphere; Stage #3: With water at 0 - 40℃; Inert atmosphere; | 94% |
- 864070-18-8
4-(5-bromo-2-chlorobenzyl)phenol
- 75-03-6
ethyl iodide
- 461432-23-5
4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene
| Conditions | Yield |
|---|---|
| With potassium carbonate; potassium iodide In acetone at 20℃; | 96% |
- 103-73-1
Phenetole
- 461432-23-5
4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene
| Conditions | Yield |
|---|---|
| With aluminum (III) chloride In ethyl acetate at 78℃; for 9h; Cooling with ice; Large scale; | 89% |
- 461432-23-5
4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene
| Conditions | Yield |
|---|---|
| Stage #1: 5-bromo-2-amino-4'-ethoxydiphenylmethane With hydrogenchloride; sodium nitrite In water at -5 - 0℃; for 3h; Large scale; Stage #2: With hydrogenchloride; copper(l) chloride In water at 20 - 80℃; for 4h; Large scale; | 83% |
| Stage #1: 5-bromo-2-amino-4'-ethoxydiphenylmethane With hydrogenchloride; sodium nitrite In water at -5℃; for 3h; Industrial scale; Stage #2: With copper(l) chloride In water at 20 - 80℃; for 4h; Industrial scale; | 83% |
| Stage #1: 5-bromo-2-amino-4'-ethoxydiphenylmethane With hydrogenchloride; sodium nitrite In water at -5 - 0℃; for 3h; Large scale; Stage #2: With hydrogenchloride; copper(l) chloride In water at 20 - 80℃; for 3h; Large scale; | 79% |
- 103-73-1
Phenetole
- 149965-41-3
5-Bromo-2-chlorobenzyl bromide
- 461432-23-5
4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene
| Conditions | Yield |
|---|---|
| With zinc(II) chloride at 75℃; for 6h; | 71% |
- 461432-22-4
(5-bromo-2-chlorophenyl)(4-ethyloxyphenyl)methanone
- 107-06-2
1,2-dichloro-ethane
- 461432-23-5
4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene
| Conditions | Yield |
|---|---|
| With potassium hydroxide; BF3.Et2O; Et3SiH In water; acetonitrile |
- 21739-92-4
5-bromo-2-chlorobenzoic acid
- 461432-23-5
4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 h / 20 °C 1.2: 3 h / 0 - 24 °C 2.1: triethylsilane; boron trifluoride diethyl etherate / dichloromethane / 1 h / 0 - 24 °C View Scheme | |
| Multi-step reaction with 3 steps 1: oxalyl dichloride / dichloromethane; N,N-dimethyl-formamide / 20 °C 2: aluminum (III) chloride / dichloromethane / 1 h / -5 - 0 °C 3: triethylsilane; boron trifluoride diethyl etherate / dichloromethane; acetonitrile / -20 - 20 °C View Scheme | |
| Multi-step reaction with 3 steps 1: thionyl chloride; N,N-dimethyl-formamide / dichloromethane / 2 h / Reflux 2: aluminum (III) chloride / dichloromethane / 1 h / Ca. -12 - Ca.-8 °C / Inert atmosphere 3: triethylsilane / dichloromethane / 0.3 h / 0 - 15 °C View Scheme |
- 103-73-1
Phenetole
- 461432-23-5
4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 h / 20 °C 1.2: 3 h / 0 - 24 °C 2.1: triethylsilane; boron trifluoride diethyl etherate / dichloromethane / 1 h / 0 - 24 °C View Scheme | |
| Multi-step reaction with 2 steps 1.1: N,N-dimethyl-formamide; oxalyl dichloride / dichloromethane / 15 h / 25 - 30 °C 1.2: 2 h / 0 - 10 °C 2.1: aluminum (III) chloride; sodium tetrahydroborate / Dimethyl ether / 30 h / 0 - 65 °C View Scheme | |
| Multi-step reaction with 2 steps 1: aluminum (III) chloride / dichloromethane / -10 - 5 °C / Inert atmosphere 2: 1,1,3,3-Tetramethyldisiloxane / 5 - 20 °C View Scheme | |
| Multi-step reaction with 2 steps 1.1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 3 h 1.2: 1 h / 4 - 5 °C 2.1: triethylsilane; boron trifluoride diethyl etherate / dichloromethane; acetonitrile / 5 - 10 °C View Scheme | |
| Multi-step reaction with 2 steps 1: aluminum (III) chloride / dichloromethane / 1 h / -20 - 20 °C 2: triethylsilane; boron trifluoride diethyl etherate / 1,2-dichloro-ethane; acetonitrile / 3 h / 0 - 50 °C View Scheme |
- 21900-52-7
5-bromo-2-chloro-benzoyl chloride
- 461432-23-5
4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: aluminum (III) chloride / dichloromethane / 1 h / -5 - 0 °C 2: triethylsilane; boron trifluoride diethyl etherate / dichloromethane; acetonitrile / -20 - 20 °C View Scheme | |
| Multi-step reaction with 2 steps 1: aluminum (III) chloride / dichloromethane / 1 h / Ca. -12 - Ca.-8 °C / Inert atmosphere 2: triethylsilane / dichloromethane / 0.3 h / 0 - 15 °C View Scheme | |
| Multi-step reaction with 2 steps 1.1: aluminum (III) chloride / dichloromethane / 0.5 h / 0 °C 1.2: 0 °C 2.1: triethylsilane; boron trifluoride diethyl etherate / dichloromethane; acetonitrile / -10 - 20 °C View Scheme |
- 21739-92-4
5-bromo-2-chlorobenzoic acid
- 103-73-1
Phenetole
- 461432-23-5
4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene
| Conditions | Yield |
|---|---|
| Stage #1: 5-bromo-2-chlorobenzoic acid With oxalyl dichloride In dichloromethane; N,N-dimethyl-formamide at 25 - 30℃; for 1h; Inert atmosphere; Stage #2: Phenetole With aluminum (III) chloride In dichloromethane at 0 - 5℃; for 2h; Stage #3: With triethylsilane In dichloromethane at 20 - 25℃; for 36h; Reagent/catalyst; Temperature; | 2.5 g |
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Specification
This chemical is called 4-Brom-1-chlor-2-(4-ethoxybenzyl)benzol, and its systematic name is 4-(5-bromo-2-chlorobenzyl)phenyl ethyl ether. With the molecular formula of C15H14BrClO, its molecular weight is 325.63. The CAS registry number of this chemical is 461432-23-5. Additionally, its product categories are Halides; Phenyls & Phenyl-Het.
Other characteristics of the 4-Brom-1-chlor-2-(4-ethoxybenzyl)benzol can be summarised as followings: (1)ACD/LogP: 5.73; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 9.23 Å2; (7)Index of Refraction: 1.584; (8)Molar Refractivity: 79.464 cm3; (9)Molar Volume: 237.48 cm3; (10)Polarizability: 31.502×10-24cm3; (11)Surface Tension: 41.059 dyne/cm; (12)Density: 1.371 g/cm3; (13)Flash Point: 191.465 °C; (14)Enthalpy of Vaporization: 61.77 kJ/mol; (15)Boiling Point: 392.976 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1c(cc(Br)cc1)Cc2ccc(OCC)cc2
2.InChI: InChI=1/C15H14BrClO/c1-2-18-14-6-3-11(4-7-14)9-12-10-13(16)5-8-15(12)17/h3-8,10H,2,9H2,1H3
3.InChIKey: ZUNCHZBITMUSRD-UHFFFAOYAH
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