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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
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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
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Safety

HazardClass 
IRRITANT
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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.

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N-Bromosuccinimide Price

TRC
Product number
T135585
Product name
tert-Butyl4-(Chloromethyl)benzoate
Packaging
100mg
Price
$75
Updated
2021/12/16
AK Scientific
Product number
X9498
Product name
tert-Butyl4-(chloromethyl)benzoate
Packaging
10g
Price
$154
Updated
2021/12/16
Matrix Scientific
Product number
058861
Product name
4-Chloromethyl-benzoic acid tert-butyl ester
Purity
95+%
Packaging
5g
Price
$159
Updated
2021/12/16
Biosynth Carbosynth
Product number
FB140512
Product name
tert-Butyl 4-(chloromethyl)benzoate
Packaging
10g
Price
$161.3
Updated
2021/12/16
Biosynth Carbosynth
Product number
FB140512
Product name
tert-Butyl 4-(chloromethyl)benzoate
Packaging
5G
Price
$93
Updated
2021/12/16
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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

Raw materials

Preparation Products

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View Lastest Price from tert-Butyl 4-(chloromethyl)benzoate manufacturers

Hefei Lbao Physical & Chemical Science Co.,Ltd
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
Hebei Fengjia New Material Co., Ltd
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
Hebei Zhuanglai Chemical Trading Co.,Ltd
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

121579-86-0, tert-Butyl 4-(chloromethyl)benzoateRelated Search:

tert-Butyl 2-bromo-4-fluorobenzoate tert-Butyl 4-bromo-2-nitrobenzoate Potassium sodium tartrate SUCCINIC ACID MONOBENZYL ESTER Calcium chloride Sodium 4-hydroxybenzenesulfonate Calcium phosphate monobasic Sodium hydroxide Zinc sulfate heptahydrate Trisodium citrate dihydrate Ethylenediaminetetraacetic acid disodium salt Ammonium phosphate dibasic CHLOROMETHYL BENZOATE BENZOIC ACID TERT-BUTYL ESTER 4-(Chloromethyl)benzoic acid

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  • Tert-butyTert-butyl 4-(chloromethyl)benzoatel 4-(chloromethyl)benzoate
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  • 121579-86-0