(3R,4R)-4-[(dimethylamino)methyl]-3-hydroxy-3-(3-methoxyphenyl)cyclohexan-1-one

Base Information

• Chemical Name: (3R,4R)-4-[(dimethylamino)methyl]-3-hydroxy-3-(3-methoxyphenyl)cyclohexan-1-one
• CAS No.: 187220-41-3
• Molecular Formula: C₁₆H₂₃NO₃
• Molecular Weight: 277.364
• European Community (EC) Number: 606-104-8

Synonyms:(3R,4R)-4-[(dimethylamino)methyl]-3-hydroxy-3-(3-methoxyphenyl)cyclohexan-1-one;187220-41-3;SCHEMBL2185502

Chemical Property of (3R,4R)-4-[(dimethylamino)methyl]-3-hydroxy-3-(3-methoxyphenyl)cyclohexan-1-one

Chemical Property:

• Vapor Pressure: 3.58E-08mmHg at 25°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 277.16779360
• Heavy Atom Count: 20
• Complexity: 345

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN(C)CC1CCC(=O)CC1(C2=CC(=CC=C2)OC)O
• Isomeric SMILES: CN(C)C[C@H]1CCC(=O)C[C@@]1(C2=CC(=CC=C2)OC)O

Technology Process of (3R,4R)-4-[(dimethylamino)methyl]-3-hydroxy-3-(3-methoxyphenyl)cyclohexan-1-one

There total 4 articles about (3R,4R)-4-[(dimethylamino)methyl]-3-hydroxy-3-(3-methoxyphenyl)cyclohexan-1-one 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:

1-(3'-methoxyphenyl)-3-(N,N-dimethylamino)-1-propanone (35076-32-5) + methyl vinyl ketone (78-94-4,25038-87-3) → rac-cis-[4-dimethylaminomethyl-3-hydroxy-3-(3-methoxy-phenyl)-cyclohexanone] (1174221-52-3,187220-41-3)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at -30 ℃; Product distribution / selectivity;

Reference yield:

1-(3'-methoxyphenyl)-3-(N,N-dimethylamino)-1-propanone (35076-32-5) + methyl vinyl ketone (78-94-4,25038-87-3) → rac-cis-[4-dimethylaminomethyl-3-hydroxy-3-(3-methoxy-phenyl)-cyclohexanone] (1174221-52-3,187220-41-3) + 2-dimethylaminomethyl-1-(3-methoxyphenyl)hexane-1,5-dione (1186119-21-0)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at -30 ℃; Product distribution / selectivity;

Reference yield:

1-(3'-methoxyphenyl)-3-(N,N-dimethylamino)-1-propanone (35076-32-5) + methyl vinyl ketone (78-94-4,25038-87-3) → 4-[(dimethylamino)methyl]-3-(3-methoxyphenyl)cyclohex-2-enone (253685-11-9) + rac-cis-[4-dimethylaminomethyl-3-hydroxy-3-(3-methoxy-phenyl)-cyclohexanone] (1174221-52-3,187220-41-3) + 2-dimethylaminomethyl-1-(3-methoxyphenyl)hexane-1,5-dione (1186119-21-0)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at 20 ℃; Product distribution / selectivity;

upstream raw materials:

1-(3'-methoxyphenyl)-3-(N,N-dimethylamino)-1-propanone

methyl vinyl ketone

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