Methyl 3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo(3.2.1)octane-2-carboxylate

Base Information

• Chemical Name: Methyl 3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo(3.2.1)octane-2-carboxylate
• CAS No.: 143965-99-5
• Molecular Formula: C16H19Cl2NO2
• Molecular Weight: 328.238
• UNII: AX9YHD42FT
• Nikkaji Number: J544.957J
• Pharos Ligand ID: PZC9YT58326K
• ChEMBL ID: CHEMBL1945780
• Mol file: 143965-99-5.mol

Synonyms:((3)H)2beta-carbomethoxy-3beta-(3',4'-dichlorophenyl)tropane;2-carbomethoxy-3-(3',4'-dichlorophenyl)tropane;MFZ 2-12

Chemical Property of Methyl 3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo(3.2.1)octane-2-carboxylate

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 327.0792842
• Heavy Atom Count: 21
• Complexity: 406

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Methyl 3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo(3.2.1)octane-2-carboxylate

There total 14 articles about Methyl 3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo(3.2.1)octane-2-carboxylate 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: 35.0%

O-1109 (211046-98-9) → dicholoropane (143965-99-5) + O-1157 (192461-06-6)

Guidance literature:

O-1109; With samarium diiodide; In tetrahydrofuran; at -78 ℃; for 0.75h; Inert atmosphere;

With methanol; In tetrahydrofuran; at -78 ℃; for 3h;

With water; trifluoroacetic acid; In tetrahydrofuran; at -78 - 20 ℃;

DOI:10.1021/jacs.0c00861

Reference yield: 14.0%

3,4-dichlorophenylmagnesium bromide (79175-35-2) + methyl ecgonidine (50373-10-9) → dicholoropane (143965-99-5) + O-1496

Guidance literature:

In diethyl ether; at -20 ℃; for 1h;

DOI:10.1021/jm00059a010

Reference yield: 14.0%

→ dicholoropane (143965-99-5)

Guidance literature:

upstream raw materials:

3,4-dichlorophenylmagnesium bromide

methyl ecgonidine

O-1109

(1R)-(-)-2-carbomethoxy-3-tropinone

Downstream raw materials:

2β-carboxylic acid methoxymethylamide-3β-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane

3β-(3,4-dichlorophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2β-carboxylic acid

(1R,2S,3S,5S)-3-(3,4-Dichloro-phenyl)-8-prop-2-ynyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester

N-[2-(3'-N'-propyl-(1''R)-3''β-(3,4-dichlorophenyl)tropane-2''β-(1-propanoyl))((2-((triphenylmethyl)thio)ethyl)amino)acetyl]-S-(triphenyl)-2-aminoethanethiol

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