1-benzyl-4-(chloromethyl)-1H-1,2,3-triazole

Base Information

Chemical Name:1-benzyl-4-(chloromethyl)-1H-1,2,3-triazole
CAS No.:70380-29-9
Molecular Formula:C10H10ClN3
Molecular Weight:207.66
Hs Code.:2933990090
European Community (EC) Number:695-071-3
ChEMBL ID:CHEMBL3229467
DSSTox Substance ID:DTXSID80512636
Wikidata:Q82371971
Mol file:70380-29-9.mol

Synonyms:1-benzyl-4-(chloromethyl)-1H-1,2,3-triazole;70380-29-9;1-benzyl-4-(chloromethyl)triazole;SCHEMBL3103838;CHEMBL3229467;DTXSID80512636;VCA38029;MFCD16748189;AKOS011687901;CG-0721;FT-0686324;F2157-0745

Suppliers and Price of 1-benzyl-4-(chloromethyl)-1H-1,2,3-triazole

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

SynQuest Laboratories
1-Benzyl-4-(chloromethyl)-1H-1,2,3-triazole 97%
1 g
$ 488.00

Matrix Scientific
1-Benzyl-4-(chloromethyl)-1H-1,2,3-triazole >97%
1g
$ 487.00

Matrix Scientific
1-Benzyl-4-(chloromethyl)-1H-1,2,3-triazole >97%
500mg
$ 390.00

Crysdot
1-Benzyl-4-(chloromethyl)-1H-1,2,3-triazole 95+%
1g
$ 338.00

Atlantic Research Chemicals
1-Benzyl-4-(chloromethyl)-1H-1,2,3-triazole 95%
1gm:
$ 335.78

AK Scientific
1-Benzyl-4-(chloromethyl)-1H-1,2,3-triazole
500mg
$ 576.00

Total 6 raw suppliers

Chemical Property of 1-benzyl-4-(chloromethyl)-1H-1,2,3-triazole

Chemical Property:

Melting Point:112-113 °C
Boiling Point:379.2±44.0 °C(Predicted)
PKA:0.15±0.10(Predicted)
PSA：30.71000
Density:1.25±0.1 g/cm3(Predicted)
LogP:2.06520
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:207.0563250
Heavy Atom Count:14
Complexity:171

Purity/Quality:

99%, ^*data from raw suppliers

1-Benzyl-4-(chloromethyl)-1H-1,2,3-triazole 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CN2C=C(N=N2)CCl
Uses 1-Benzyl-4-(chloromethyl)triazole is a building block for molecules which exhibit cytostatic activity.

Technology Process of 1-benzyl-4-(chloromethyl)-1H-1,2,3-triazole

There total 6 articles about 1-benzyl-4-(chloromethyl)-1H-1,2,3-triazole 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: 100.0%

: 28798-81-4
(1-benzyl-[1,2,3]triazol-4-yl)methanol

: 70380-29-9
1-benzyl-4-(chloromethyl)-1H-1,2,3-triazole

Guidance literature:: With thionyl chloride; In dichloromethane; at 40 ℃; for 3h;
DOI:10.1002/cmdc.202100676

Reference yield: 75.0%

: 624-65-7
2-propynyl chloride

: 622-79-7
benzyl azide

: 70380-29-9
1-benzyl-4-(chloromethyl)-1H-1,2,3-triazole

Guidance literature:: With C₃₉H₄₄ClCuN₂⁽¹⁺⁾; In neat (no solvent); at 70 ℃; for 5h; Schlenk technique; Inert atmosphere;
DOI:10.1002/adsc.201300343

Reference yield: 51.0%

: 100-39-0
benzyl bromide

: 624-65-7
2-propynyl chloride

: 70380-29-9
1-benzyl-4-(chloromethyl)-1H-1,2,3-triazole

Guidance literature:: With sodium azide; copper(II) sulfate; sodium L-ascorbate; In water; tert-butyl alcohol; regioselective reaction; Heating;
DOI:10.3998/ark.5550190.0012.913