Tert-butyl 4-[(3-iodophenyl)methyl]piperazine-1-carboxylate

Base Information

Chemical Name:Tert-butyl 4-[(3-iodophenyl)methyl]piperazine-1-carboxylate
CAS No.:850375-09-6
Molecular Formula:C16H23 I N2 O2
Molecular Weight:402.275
Hs Code.:2933599590
DSSTox Substance ID:DTXSID70427801
Wikidata:Q82240508
Mol file:850375-09-6.mol

Synonyms:850375-09-6;Tert-butyl 4-[(3-iodophenyl)methyl]piperazine-1-carboxylate;TERT-BUTYL 4-(3-IODOBENZYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE;4-(3-Iodobenzyl)piperazine, N1-BOC protected;SCHEMBL1433538;DTXSID70427801;MFCD06658978;AKOS027327235;CS-0458965;FT-0743386;J-524612;tert-Butyl 4-(3-iodobenzyl)piperazine-1-carboxylate;TERT-BUTYL 4-(3-IODOBENZYL)TETRAHYDRO-1(2H)-PYRAZINE CARBOXYLATE

Suppliers and Price of Tert-butyl 4-[(3-iodophenyl)methyl]piperazine-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

SynQuest Laboratories
4-(3-Iodobenzyl)piperazine, N1-Boc protected 97%
1 g
$ 192.00

Apolloscientific
4-(3-Iodobenzyl)piperazine,N1-BOCprotected 97%
1g
$ 174.00

American Custom Chemicals Corporation
TERT-BUTYL 4-(3-IODOBENZYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE 95.00%
5G
$ 1443.17

American Custom Chemicals Corporation
TERT-BUTYL 4-(3-IODOBENZYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE 95.00%
1G
$ 770.10

Total 4 raw suppliers

Chemical Property of Tert-butyl 4-[(3-iodophenyl)methyl]piperazine-1-carboxylate

Chemical Property:

Vapor Pressure:1.88E-07mmHg at 25°C
Refractive Index:1.584
Boiling Point:425.6°C at 760 mmHg
Flash Point:211.2°C
PSA：32.78000
Density:1.456g/cm³
LogP:3.21970
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:402.08043
Heavy Atom Count:21
Complexity:349

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

4-(3-Iodobenzyl)piperazine, N1-Boc protected 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:C

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=CC=C2)I

Technology Process of Tert-butyl 4-[(3-iodophenyl)methyl]piperazine-1-carboxylate

There total 1 articles about Tert-butyl 4-[(3-iodophenyl)methyl]piperazine-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:

: 57260-71-6
1-t-Butoxycarbonylpiperazine

: 850375-09-6
4-[(3-iodophenyl)methyl]-1-piperazinecarboxylic acid 1,1-dimethylethyl ester

Guidance literature:: With triethylamine; In dichloromethane; at 20 ℃;
DOI:10.1016/j.ejmech.2013.04.013

Reference yield: 98.0%

: 850375-09-6
4-[(3-iodophenyl)methyl]-1-piperazinecarboxylic acid 1,1-dimethylethyl ester

: 147531-11-1
trifluoromethanesulfonic acid diphenyl(trifluoromethyl)sulfonium salt

: 77278-55-8
tert-Butyl 4-(3-trifluoromethylbenzyl)piperazine-1-carboxylate

Guidance literature:: With copper; In N,N-dimethyl-formamide; at 60 ℃; for 11h;
DOI:10.1002/anie.201006823

Reference yield: 46.8%

: 84249-14-9
2-amino-4-bromopyridine

: 850375-09-6
4-[(3-iodophenyl)methyl]-1-piperazinecarboxylic acid 1,1-dimethylethyl ester

: C₂₁H₂₇BrN₄O₂

Guidance literature:: With palladium diacetate; caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; at 95 - 105 ℃; for 21h; Inert atmosphere;