Tert-butyl 4-(chloromethyl)imidazole-1-carboxylate

Base Information

Chemical Name:Tert-butyl 4-(chloromethyl)imidazole-1-carboxylate
CAS No.:500782-71-8
Molecular Formula:C9H13ClN2O2
Molecular Weight:216.66
Hs Code.:2933290090
DSSTox Substance ID:DTXSID50469921
Wikidata:Q82297848
Mol file:500782-71-8.mol

Synonyms:500782-71-8;TERT-BUTYL 4-(CHLOROMETHYL)-1H-IMIDAZOLE-1-CARBOXYLATE;Tert-butyl 4-(chloromethyl)imidazole-1-carboxylate;SCHEMBL2490063;DTXSID50469921;WEVUSNXEJVVWOD-UHFFFAOYSA-N;AKOS025312355;AB44552;AT37221;FT-0684710;EN300-1878624;1,1-Dimethylethyl 4-(chloromethyl)-1H-imidazole-1-carboxylate

Suppliers and Price of Tert-butyl 4-(chloromethyl)imidazole-1-carboxylate

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

Matrix Scientific
tert-Butyl 4-(chloromethyl)imidazole-1-carboxylate >95%
1g
$ 450.00

Matrix Scientific
tert-Butyl 4-(chloromethyl)imidazole-1-carboxylate >95%
5g
$ 1325.00

Crysdot
tert-Butyl4-(chloromethyl)-1H-imidazole-1-carboxylate 95+%
1g
$ 850.00

American Custom Chemicals Corporation
TERT-BUTYL-4-(CHLOROMETHYL)-1H-IMIDAZOLE-1-CARBOXYLATE 95.00%
5MG
$ 504.01

AK Scientific
tert-Butyl4-(chloromethyl)imidazole-1-carboxylate
5g
$ 1838.00

AccelPharmtech
4-(chloromethyl)-1H-Imidazole-1-carboxylicacid1,1-dimethylethylester 97.00%
25G
$ 5130.00

AccelPharmtech
4-(chloromethyl)-1H-Imidazole-1-carboxylicacid1,1-dimethylethylester 97.00%
5G
$ 2700.00

AccelPharmtech
4-(chloromethyl)-1H-Imidazole-1-carboxylicacid1,1-dimethylethylester 97.00%
1G
$ 2030.00

Total 9 raw suppliers

Chemical Property of Tert-butyl 4-(chloromethyl)imidazole-1-carboxylate

Chemical Property:

Boiling Point:319.1±34.0 °C(Predicted)
PKA:2.22±0.70(Predicted)
PSA：44.12000
Density:1.20±0.1 g/cm3(Predicted)
LogP:2.40510
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:216.0665554
Heavy Atom Count:14
Complexity:215

Purity/Quality:

98%min ^*data from raw suppliers

tert-Butyl 4-(chloromethyl)imidazole-1-carboxylate >95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N1C=C(N=C1)CCl

Technology Process of Tert-butyl 4-(chloromethyl)imidazole-1-carboxylate

There total 2 articles about Tert-butyl 4-(chloromethyl)imidazole-1-carboxylate 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: 80.0%

: 120277-50-1
tert-butyl 4-(hydroxymethyl)-1H-imidazole-1-carboxylate

: 500782-71-8
4-(chloromethyl)imidazole-1-carboxylic acid tert-butyl ester

Guidance literature:: With thionyl chloride; In dichloromethane; N,N-dimethyl-formamide; at 0 ℃; for 0.25h;
DOI:10.1039/b517572k

Reference yield:

: 120277-50-1
tert-butyl 4-(hydroxymethyl)-1H-imidazole-1-carboxylate

: tert-butyl 5-(hydroxymethyl)-1H-imidazole-1-carboxylate

: 500782-71-8
4-(chloromethyl)imidazole-1-carboxylic acid tert-butyl ester

Guidance literature:: tert-butyl 4-(hydroxymethyl)-1H-imidazole-1-carboxylate; tert-butyl 5-(hydroxymethyl)-1H-imidazole-1-carboxylate; With thionyl chloride; N,N-dimethyl-formamide; In dichloromethane; at 0 ℃;

With sodium hydrogencarbonate; In water; ethyl acetate;