Iodoazidopotentidine

Base Information

Chemical Name:Iodoazidopotentidine
CAS No.:126632-02-8
Molecular Formula:C₂₆H₃₂IN₉O₂
Molecular Weight:629.504
Hs Code.:
DSSTox Substance ID:DTXSID00155261
Nikkaji Number:J489.296H
ChEMBL ID:CHEMBL307952
Mol file:126632-02-8.mol

Synonyms:I-AZPT;iodoazidopotentidine;N-(2-(4-azido-3-iodobenzamido)ethyl)-N'-cyano-N''-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)guanidine

Suppliers and Price of Iodoazidopotentidine

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

Total 2 raw suppliers

Chemical Property of Iodoazidopotentidine

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：155.02000
Density:g/cm³
LogP:5.18134
XLogP3:4.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:14
Exact Mass:629.17237
Heavy Atom Count:38
Complexity:851

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCN(CC1)CC2=CC(=CC=C2)OCCCN=C(NCCNC(=O)C3=CC(=C(C=C3)N=[N+]=[N-])I)NC#N

Technology Process of Iodoazidopotentidine

There total 6 articles about Iodoazidopotentidine 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:

: 98078-91-2,112528-14-0,112528-15-1
N-cyano-O-phenyl-N'-<3-<3-(1-piperidinylmethyl)phenoxy>propyl>isourea

: 126632-02-8
N-<2-(4-azido-3-iodobenzamido)ethyl>-N'-cyano-N''-<3-<3-(1-piperidinylmethyl)phenoxy>propyl>guanidine

Guidance literature:: Multi-step reaction with 3 steps

1: 90 percent / CH₂Cl₂

2: 1.) N,N'-carbonyldiimidazole (CDI) / 1.) THF, 1 h, 2.) THF, RT, 8 h

3: 1.) 5percent aq. NaNO₂, 8N aq. acetic acid, 2.) 5percent aq NaN₃ / 1.) 0 deg C, 4 min, 2.) water, RT, 3 min

With sodium azide; acetic acid; 1,1'-carbonyldiimidazole; sodium nitrite; In dichloromethane;
DOI:10.1021/jm00090a013

Reference yield:

: 94-09-7
p-aminoethylbenzoate

: 126632-02-8
N-<2-(4-azido-3-iodobenzamido)ethyl>-N'-cyano-N''-<3-<3-(1-piperidinylmethyl)phenoxy>propyl>guanidine

Guidance literature:: Multi-step reaction with 4 steps

1: 97 percent / benzyltrimethylammonium dichloroiodate, CaCO₃ / CH₂Cl₂; methanol / 48 h

2: 98 percent / 10percent aq. KOH / 1 h / Heating

3: 1.) N,N'-carbonyldiimidazole (CDI) / 1.) THF, 1 h, 2.) THF, RT, 8 h

4: 1.) 5percent aq. NaNO₂, 8N aq. acetic acid, 2.) 5percent aq NaN₃ / 1.) 0 deg C, 4 min, 2.) water, RT, 3 min

With potassium hydroxide; sodium azide; N,N,N-trimethylbenzenemethanaminium dichloroiodate; acetic acid; 1,1'-carbonyldiimidazole; calcium carbonate; sodium nitrite; In methanol; dichloromethane;
DOI:10.1021/jm00090a013

Reference yield:

: 126632-01-7
N-<2-(4-amino-3-iodobenzamido)ethyl>-N'-cyano-N''-<3-<3-(1-piperidinylmethyl)phenoxy>propyl>guanidine

: 126632-02-8
N-<2-(4-azido-3-iodobenzamido)ethyl>-N'-cyano-N''-<3-<3-(1-piperidinylmethyl)phenoxy>propyl>guanidine

Guidance literature:: With sodium azide; acetic acid; sodium nitrite; Yield given. Multistep reaction; 1.) 0 deg C, 4 min, 2.) water, RT, 3 min;
DOI:10.1021/jm00090a013