Zsb3P8yaz9

Base Information

Chemical Name:Zsb3P8yaz9
CAS No.:198990-83-9
Molecular Formula:C₁₇H₂₂INO₂
Molecular Weight:399.272
Hs Code.:
UNII:ZSB3P8YAZ9
DSSTox Substance ID:DTXSID101028799
Nikkaji Number:J898.888I
Wikipedia:RTI-353
Wikidata:Q7277838
Pharos Ligand ID:RNYGFDBA9H28
ChEMBL ID:CHEMBL1944978

Synonyms:RTI-353;ZSB3P8YAZ9;UNII-ZSB3P8YAZ9;Rti(-4229)-353;Methyl (1R,2S,3S,5S)-3-(4-ethyl-3-iodophenyl)-8-azabicyclo(3.2.1)octane-2-carboxylate;198990-83-9;8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(4-ethyl-3-iodophenyl)-, methyl ester, (1R,2S,3S,5S)-;8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(4-ethyl-3-iodophenyl)-, methyl ester, (1R-(exo,exo))-;Methyl (1R,2S,3S,5S)-3-(4-ethyl-3-iodophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;CHEMBL1944978;DTXSID101028799;Q7277838;(1R,2S,3S,5S)-3-(4-Ethyl-3-iodophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester

Suppliers and Price of Zsb3P8yaz9

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Zsb3P8yaz9

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:399.06953
Heavy Atom Count:21
Complexity:389

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCC1=C(C=C(C=C1)C2CC3CCC(C2C(=O)OC)N3)I
Isomeric SMILES:CCC1=C(C=C(C=C1)[C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)N3)I

Technology Process of Zsb3P8yaz9

There total 9 articles about Zsb3P8yaz9 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: 53.0%

: 1026290-19-6
(1R,2S,3S,5S)-3-(4-Ethyl-3-iodo-phenyl)-8-aza-bicyclo[3.2.1]octane-2,8-dicarboxylic acid 2-methyl ester 8-(2,2,2-trichloro-ethyl) ester

: 198990-83-9
2β-carbomethoxy-3β-(4'-ethyl-3'-iodophenyl)nortropane

Guidance literature:: With ammonium acetate; In tetrahydrofuran; at 25 ℃;
DOI:10.1021/jm970492z

Reference yield: 37.0%

: 204068-47-3
RTI-4229-222

: 198990-83-9
2β-carbomethoxy-3β-(4'-ethyl-3'-iodophenyl)nortropane

Guidance literature:: RTI-4229-222; With 2,2,2-Trichloroethyl chloroformate;

With zinc; In acetic acid;
DOI:10.1016/S0968-0896(01)00083-9

Reference yield:

: 156496-01-4
(1R,2S,3S,5S)-3-(4-Iodo-phenyl)-8-aza-bicyclo[3.2.1]octane-2,8-dicarboxylic acid 2-methyl ester 8-(2,2,2-trichloro-ethyl) ester

: 198990-83-9
2β-carbomethoxy-3β-(4'-ethyl-3'-iodophenyl)nortropane

Guidance literature:: Multi-step reaction with 4 steps

1: 73 percent / PdCl₂3>2 / tetrahydrofuran

2: 84 percent / H₂ / Pd/C / methanol

3: 68 percent / I₂, AcOH, HClO₄, HgO

4: 53 percent / 10percent PbO/Cd, NH₄OAc / tetrahydrofuran / 25 °C

With bis-triphenylphosphine-palladium(II) chloride; perchloric acid; ammonium acetate; hydrogen; iodine; acetic acid; mercury(II) oxide; palladium on activated charcoal; In tetrahydrofuran; methanol;
DOI:10.1021/jm970492z