Methyl 8-(3-fluoropropyl)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylatato(2-)

Base Information

Chemical Name:Methyl 8-(3-fluoropropyl)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylatato(2-)
CAS No.:155797-99-2
Molecular Formula:C18H23FINO2
Molecular Weight:431.28
Hs Code.:
DSSTox Substance ID:DTXSID30935290
Mol file:155797-99-2.mol

Synonyms:Methyl 8-(3-fluoropropyl)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylatato(2-);DTXSID30935290;methyl (1R,2S,3S)-8-(3-fluoropropyl)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate

Suppliers and Price of Methyl 8-(3-fluoropropyl)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylatato(2-)

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

TRC
CITFP
2.5mg
$ 695.00

American Custom Chemicals Corporation
DATSCAN 95.00%
5MG
$ 502.65

Total 6 raw suppliers

Chemical Property of Methyl 8-(3-fluoropropyl)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylatato(2-)

Chemical Property:

Appearance/Colour:Colourless or yellowish crystal
Vapor Pressure:3.57E-08mmHg at 25°C
Refractive Index:1.561
Boiling Point:446.7 °C at 760 mmHg
Flash Point:224 °C
PSA：29.54000
Density:1.45 g/cm³
LogP:3.69820
XLogP3:4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:431.07575
Heavy Atom Count:23
Complexity:414

Purity/Quality:

99% ^*data from raw suppliers

CITFP ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1C2CCC(N2CCCF)CC1C3=CC=C(C=C3)I
Isomeric SMILES:COC(=O)[C@@H]1[C@H]2CCC(N2CCCF)C[C@@H]1C3=CC=C(C=C3)I
Uses CITFP is a cocaine analog used for the imaging of the dopamine transporter; Also, it is derived from (-)-2β-Carbomethoxy-3β-(4-iodophenyl)nortropane (C176610), which is an inhibitor of the serotonin (5-HT) transporter.

Technology Process of Methyl 8-(3-fluoropropyl)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylatato(2-)

There total 7 articles about Methyl 8-(3-fluoropropyl)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylatato(2-) 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:

: 462-43-1
3-fluoropropane-1-ol

: 136794-87-1
(1R,2S,3S,5S)-3-(4-Iodo-phenyl)-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester

: 155797-99-2
FP-beta-CIT

Guidance literature:: 3-fluoropropane-1-ol; With Dess-Martin periodane; In dichloromethane; at 20 ℃; for 1h;

(1R,2S,3S,5S)-3-(4-Iodo-phenyl)-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester; With sodium tris(acetoxy)borohydride; at -30 - -21 ℃; for 2h;