tert-butyl N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

Base Information

Chemical Name:tert-butyl N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CAS No.:217313-83-2
Molecular Formula:C₁₈H₂₇N₃O₅
Molecular Weight:365.429
Hs Code.:
DSSTox Substance ID:DTXSID50944344
Nikkaji Number:J1.008.208K
Mol file:217313-83-2.mol

Synonyms:tert-butyl N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;217313-83-2;DTXSID50944344;4-(N,N-Diboc-aminomethyl)-n-hydroxybenzamidine;4-[Bis(tert-butoxycarbonyl)aminomethyl]-N-hydroxybenzamidine;Di-tert-butyl {[4-(N'-hydroxycarbamimidoyl)phenyl]methyl}-2-imidodicarbonate

Suppliers and Price of tert-butyl N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

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

American Custom Chemicals Corporation
4-(N',N'-DIBOC-AMINOMETHYL)-N-HYDROXYBENZAMIDINE 95.00%
2G
$ 1212.75

Total 3 raw suppliers

Chemical Property of tert-butyl N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

Chemical Property:

Vapor Pressure:1.09E-10mmHg at 25°C
Refractive Index:1.526
Boiling Point:496.9°Cat760mmHg
Flash Point:254.3°C
PSA：114.45000
Density:1.15g/cm³
LogP:4.15360
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:365.19507097
Heavy Atom Count:26
Complexity:498

Purity/Quality:

97% ^*data from raw suppliers

4-(N',N'-DIBOC-AMINOMETHYL)-N-HYDROXYBENZAMIDINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N(CC1=CC=C(C=C1)C(=NO)N)C(=O)OC(C)(C)C

Technology Process of tert-butyl N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

There total 5 articles about tert-butyl N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate 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: 75.0%

: 172348-74-2
tert-butyl ((tert-butoxycarbonyl)(4-cyanobenzyl)amino)-methanoate

: 510772-07-3,217313-83-2
4-di-tert-butoxycarbonylaminomethyl-N-hydroxy-benzamidine

Guidance literature:: With hydroxylamine hydrochloride; sodium carbonate; In ethanol; water; for 3h; Heating;
DOI:10.1080/00397919808004477

Reference yield: 74.0%

: 172348-74-2
tert-butyl ((tert-butoxycarbonyl)(4-cyanobenzyl)amino)-methanoate

: 217313-83-2,510772-07-3
(Z)-4-((di-tert-butoxycarbonylamino)methyl)-N'-hydroxybenzimidamide

Guidance literature:: With hydroxylamine hydrochloride; N-ethyl-N,N-diisopropylamine; In methanol; for 18h; Reflux;
DOI:10.1021/jm9016416

Reference yield:

: 51779-32-9
iminodicarboxylic acid di-tert-butyl ester

: 510772-07-3,217313-83-2
4-di-tert-butoxycarbonylaminomethyl-N-hydroxy-benzamidine

Guidance literature:: Multi-step reaction with 2 steps

1: 96 percent / NaH / tetrahydrofuran / 18 h / Ambient temperature

2: 75 percent / NH₂OH*HCl, Na₂CO₃ / H₂O; ethanol / 3 h / Heating

With hydroxylamine hydrochloride; sodium hydride; sodium carbonate; In tetrahydrofuran; ethanol; water;
DOI:10.1080/00397919808004477