Tert-butyl 4-(chloromethyl)benzoate

Base Information

Chemical Name:Tert-butyl 4-(chloromethyl)benzoate
CAS No.:121579-86-0
Molecular Formula:C12H15ClO2
Molecular Weight:226.703
Hs Code.:2916399090
DSSTox Substance ID:DTXSID20596874
Nikkaji Number:J381.670B
Wikidata:Q72502676
Mol file:121579-86-0.mol

Synonyms:TERT-BUTYL 4-(CHLOROMETHYL)BENZOATE;121579-86-0;Benzoic acid, 4-(chloromethyl)-, 1,1-dimethylethyl ester;4-Chloromethyl-benzoic acid tert-butyl ester;tert-butyl4-(chloromethyl)benzoate;MFCD15142807;SCHEMBL1919683;tert-butyl 4-chloromethylbenzoate;AMY3805;DTXSID20596874;UDAULNDFFKITRZ-UHFFFAOYSA-N;AKOS009159278;CS-W023004;GS-3952;SY031012;4-chloromethyl benzoic acid tert-butyl ester;EN300-113091;A891577

Suppliers and Price of Tert-butyl 4-(chloromethyl)benzoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
tert-Butyl4-(Chloromethyl)benzoate
100mg
$ 75.00

Matrix Scientific
4-Chloromethyl-benzoic acid tert-butyl ester 95+%
5g
$ 159.00

Matrix Scientific
4-Chloromethyl-benzoic acid tert-butyl ester 95+%
25g
$ 498.00

Biosynth Carbosynth
tert-Butyl 4-(chloromethyl)benzoate
25 g
$ 322.00

Biosynth Carbosynth
tert-Butyl 4-(chloromethyl)benzoate
10 g
$ 161.30

Biosynth Carbosynth
tert-Butyl 4-(chloromethyl)benzoate
5 g
$ 93.00

Biosynth Carbosynth
tert-Butyl 4-(chloromethyl)benzoate
100 g
$ 930.00

Biosynth Carbosynth
tert-Butyl 4-(chloromethyl)benzoate
50 g
$ 547.00

American Custom Chemicals Corporation
TERT-BUTYL-4-(CHLOROMETHYL)BENZOATE 95.00%
5MG
$ 500.65

Ambeed
tert-Butyl4-(chloromethyl)benzoate 95%
5g
$ 52.00

Total 62 raw suppliers

Chemical Property of Tert-butyl 4-(chloromethyl)benzoate

Chemical Property:

Vapor Pressure:0.000614mmHg at 25°C
Refractive Index:1.514
Boiling Point:310.08 °C at 760 mmHg
Flash Point:149.114 °C
PSA：26.30000
Density:1.108 g/cm³
LogP:3.38070
Storage Temp.:under inert gas (nitrogen or Argon) at 2-8°C
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:226.0760574
Heavy Atom Count:15
Complexity:212

Purity/Quality:

99.9% ^*data from raw suppliers

tert-Butyl4-(Chloromethyl)benzoate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)C1=CC=C(C=C1)CCl

Technology Process of Tert-butyl 4-(chloromethyl)benzoate

There total 4 articles about Tert-butyl 4-(chloromethyl)benzoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 89.0%

: 98946-18-0
tert-Butyl 2,2,2-trichloroacetimidate

: 1642-81-5
p-(chloromethyl)benzoic acid

: 121579-86-0
4-chloromethylbenzoic acid tert-butyl ester

Guidance literature:: With boron trifluoride diethyl etherate; In tetrahydrofuran; at 20 ℃;
DOI:10.1016/S0040-4039(00)01508-2

Reference yield: 86.0%

: 1642-81-5
p-(chloromethyl)benzoic acid

: 865-47-4
potassium tert-butylate

: 121579-86-0
4-chloromethylbenzoic acid tert-butyl ester

Guidance literature:: p-(chloromethyl)benzoic acid; With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 24.5h;

potassium tert-butylate; In tetrahydrofuran; tert-butyl methyl ether; at -5 - 10 ℃;

With sodium hydrogencarbonate; In tetrahydrofuran; tert-butyl methyl ether; water;

Reference yield: 36.0%

: 13756-42-8
tert-butyl 4-methylbenzoate

: 121579-86-0
4-chloromethylbenzoic acid tert-butyl ester

Guidance literature:: With tert-butylhypochlorite; bis(1,10-phenanthroline)silver(I) triflate; In acetonitrile; at 20 ℃; for 48h; regioselective reaction; Inert atmosphere;
DOI:10.1021/acs.orglett.7b00367