tert-Butyl 4-(chloromethyl)benzoate
- Product Name
- tert-Butyl 4-(chloromethyl)benzoate
- CAS No.
- 121579-86-0
- Chemical Name
- tert-Butyl 4-(chloromethyl)benzoate
- Synonyms
- Tert butyl p-chloromethylbenzoate;ert-Butyl 4-(chloromethyl)benzoate;tert-Butyl 4-(chloromethyl)benzoate;4-(Chloromethyl)benzoic acid tert-butyl ester;tert-Butyl 4-(chloromethyl)benzoate 121579-86-0;4-Chloro Methyl Benzoic Acid Tertiary Butyl Ester;benzoic acid 4-(chloromethyl)-,1,1-dimenthylethyl ester;Benzoic acid, 4-(chloromethyl)-, 1,1-dimethylethyl ester;Tert-butyTert-butyl 4-(chloromethyl)benzoatel 4-(chloromethyl)benzoate
- CBNumber
- CB01073047
- Molecular Formula
- C12H15ClO2
- Formula Weight
- 226.7
- MOL File
- 121579-86-0.mol
tert-Butyl 4-(chloromethyl)benzoate Property
- Boiling point:
- 310℃
- Density
- 1.108
- Flash point:
- 320℃
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C12H15ClO2/c1-12(2,3)15-11(14)10-6-4-9(8-13)5-7-10/h4-7H,8H2,1-3H3
- InChIKey
- UDAULNDFFKITRZ-UHFFFAOYSA-N
- SMILES
- C(OC(C)(C)C)(=O)C1=CC=C(CCl)C=C1
Safety
- HazardClass
- IRRITANT
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H332Harmful if inhaled
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- T135585
- Product name
- tert-Butyl4-(Chloromethyl)benzoate
- Packaging
- 100mg
- Price
- $75
- Updated
- 2021/12/16
- Product number
- X9498
- Product name
- tert-Butyl4-(chloromethyl)benzoate
- Packaging
- 10g
- Price
- $154
- Updated
- 2021/12/16
- Product number
- 058861
- Product name
- 4-Chloromethyl-benzoic acid tert-butyl ester
- Purity
- 95+%
- Packaging
- 5g
- Price
- $159
- Updated
- 2021/12/16
- Product number
- FB140512
- Product name
- tert-Butyl 4-(chloromethyl)benzoate
- Packaging
- 10g
- Price
- $161.3
- Updated
- 2021/12/16
- Product number
- FB140512
- Product name
- tert-Butyl 4-(chloromethyl)benzoate
- Packaging
- 5G
- Price
- $93
- Updated
- 2021/12/16
tert-Butyl 4-(chloromethyl)benzoate Chemical Properties,Usage,Production
Synthesis
1642-81-5
865-47-4
121579-86-0
The general procedure for the synthesis of tert-butyl 4-chloromethylbenzoate from 4-chloromethylbenzoic acid and potassium tert-butoxide was as follows: oxalyl chloride (101 mL) was slowly added dropwise over 30 min to a suspension of dichloromethane (1.2 L) containing 5 mL of 4-chloromethylbenzoic acid (181.8 g) in DMF. After the dropwise addition, the reaction mixture was stirred at room temperature for 24 hours. Subsequently, the solvent was removed by concentration under reduced pressure and co-evaporated with toluene for further drying. To the residue was added 908 mL of methyl tert-butyl ether (MTBE) and the mixture was cooled to -5°C. At this temperature, a tetrahydrofuran (THF) solution of potassium tert-butoxide (1.0 M, 1172 mL) was added dropwise while ensuring that the internal temperature of the reaction did not exceed 10°C. After completion of the dropwise addition, stirring of the reaction mixture was continued for 1 hour. Subsequently, the reaction mixture was treated with 500 mL of saturated sodium bicarbonate solution and after stirring for 5 minutes, the organic phase was separated. The organic phase was washed with saturated sodium chloride solution and dried with magnesium sulfate. Finally, 241.7 g (86% yield) of tert-butyl 4-chloromethylbenzoate was obtained by concentration as a dark colored oil. Its 1H NMR (CDCl3) data were as follows: δ 1.59 ppm (s, 9H), 4.61 (s, 2H), 7.45 (d, 2H), 7.99 (d, 2H).
References
[1] Patent: WO2010/19830, 2010, A1. Location in patent: Page/Page column 73-74
[2] Patent: WO2015/191900, 2015, A1. Location in patent: Page/Page column 119
tert-Butyl 4-(chloromethyl)benzoate Preparation Products And Raw materials
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View Lastest Price from tert-Butyl 4-(chloromethyl)benzoate manufacturers
- Product
- tert-Butyl 4-(chloromethyl)benzoate 121579-86-0
- Price
- US $0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- Customise
- Release date
- 2025-11-11
- Product
- tert-Butyl 4-(chloromethyl)benzoate 121579-86-0
- Price
- US $6.00/kg
- Min. Order
- 1kg
- Purity
- 0.99
- Supply Ability
- 10000
- Release date
- 2024-08-08
- Product
- tert-Butyl 4-(chloromethyl)benzoate 121579-86-0
- Price
- US $65.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 5000kg/week
- Release date
- 2024-05-27