Lzd6F45mkx

Base Information

• Chemical Name: Lzd6F45mkx
• CAS No.: 184376-53-2
• Molecular Formula: C₁₆H₂₀INO₂
• Molecular Weight: 385.245
• UNII: LZD6F45MKX
• DSSTox Substance ID: DTXSID601126180
• Nikkaji Number: J777.898H
• Wikipedia: RTI-352
• Wikidata: Q7277836
• Mol file: 184376-53-2.mol

Synonyms:RTI 352;RTI-352

Chemical Property of Lzd6F45mkx

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 385.05388
• Heavy Atom Count: 20
• Complexity: 368

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1C2CCC1C(C(C2)C3=CC=C(C=C3)I)C(=O)OC
• Isomeric SMILES: CN1[C@H]2CC[C@@H]1[C@H]([C@@H](C2)C3=CC=C(C=C3)I)C(=O)OC

Technology Process of Lzd6F45mkx

There total 7 articles about Lzd6F45mkx 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: 83.0%

(1R)-3α-phenyltropane-2β-carboxylic acid methyl ester (184376-56-5) → 3α-(4-iodophenyl)tropane-2β-carboxylic acid methyl ester (184376-53-2,133647-95-7)

Guidance literature:

With iodine; silver trifluoromethanesulfonate; acetic acid; In dichloromethane; at 20 ℃;

DOI:10.1016/j.bmcl.2007.03.056

Reference yield: 45.0%

methanol (67-56-1) + 3α-(iodophenyl)-2β-(3'-methyl-1',2',4'-oxadiazol-5'-yl)tropane (223384-61-0) → 3α-(4-iodophenyl)tropane-2β-carboxylic acid methyl ester (184376-53-2,133647-95-7)

Guidance literature:

With hydrogenchloride; sodium tetrahydroborate; nickel diacetate; for 4h; Heating / reflux;

Reference yield:

(1R,5S)-2-(3'-methyl-1',2',4'-oxadiazol-5'-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene → 3α-(4-iodophenyl)tropane-2β-carboxylic acid methyl ester (184376-53-2,133647-95-7)

Guidance literature:

Multi-step reaction with 3 steps

1.1: tetrahydrofuran / -78 °C

1.2: 66 percent / TFA / tetrahydrofuran / -78 °C

2.1: 80 percent / nickel boride; hydrochloric acid / Heating

3.1: 83 percent / I₂; silver trifluoromethanesulfonate; HOAc / CH₂Cl₂ / 20 °C

With hydrogenchloride; nickel boride; iodine; silver trifluoromethanesulfonate; acetic acid; In tetrahydrofuran; dichloromethane;

DOI:10.1016/j.bmcl.2007.03.056

upstream raw materials:

methanol

(1R)-3α-phenyltropane-2β-carboxylic acid methyl ester

phenyllithium

(1R)-3α-phenyl-2β-(3-methyl-[1,2,4]oxadiazole-5-yl)tropane

Downstream raw materials:

C₁₈H₁₉Cl₃INO₄

2β,3α-3-(4'-iodophenyl)nortropane

C₂₀H₂₇NO₂Si