5-Iodobenzovesamicol

Base Information

Chemical Name:5-Iodobenzovesamicol
CAS No.:128192-12-1
Molecular Formula:C₂₁H₂₄INO
Molecular Weight:433.332
Hs Code.:
UNII:IHV0X7KK9B
DSSTox Substance ID:DTXSID90155836
Nikkaji Number:J762.005E
Wikidata:Q83023819
ChEMBL ID:CHEMBL65239
Mol file:128192-12-1.mol

Synonyms:5-IBVM;5-iodobenzovesamicol;5-iodobenzovesamicol, ((+-)-trans) isomer, 125I-labeled;5-iodobenzovesamicol, (2S-trans) isomer;IBVM-5;iodobenzovesamicol-5

Suppliers and Price of 5-Iodobenzovesamicol

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 3 raw suppliers

Chemical Property of 5-Iodobenzovesamicol

Chemical Property:

Vapor Pressure:5.13E-12mmHg at 25°C
Boiling Point:528.9°Cat760mmHg
Flash Point:273.7°C
PSA：23.47000
Density:1.49g/cm³
LogP:3.93680
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:433.09026
Heavy Atom Count:24
Complexity:403

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN(CCC1C2=CC=CC=C2)C3CC4=C(CC3O)C=CC=C4I
Isomeric SMILES:C1CN(CCC1C2=CC=CC=C2)[C@@H]3CC4=C(C[C@H]3O)C=CC=C4I

Technology Process of 5-Iodobenzovesamicol

There total 4 articles about 5-Iodobenzovesamicol 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: 68.0%

: 128192-12-1,128298-43-1,128298-44-2
(+/-)-trans-2-hydroxy-5-iodo-3-(4-phenylpiperidino)tetralin

Guidance literature:

Reference yield:

: 112628-52-1,141436-23-9
(±)-5-amino-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol

: 128192-12-1,128298-43-1,128298-44-2
(+/-)-trans-2-hydroxy-5-iodo-3-(4-phenylpiperidino)tetralin

Guidance literature:: With hydrogenchloride; iodine; potassium iodide; sodium nitrite; Yield given. Multistep reaction;
DOI:10.1021/jm00170a002

Reference yield:

: 112628-52-1,141436-23-9
(±)-5-amino-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol

: 128192-12-1
(-)-(2R,3R)-5-iodobenzovesamicol

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) NaNO₂, HCl, 2.) I₂, KI

With hydrogenchloride; iodine; potassium iodide; sodium nitrite;
DOI:10.1021/jm00170a002