[(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate

Base Information

Chemical Name:[(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
CAS No.:195513-96-3
Molecular Formula:C₃₀H₄₀N₂O₆
Molecular Weight:524.657
Hs Code.:
Pharos Ligand ID:27ZBR8HSTY2V
ChEMBL ID:CHEMBL2059026

Synonyms:195513-96-3;SLF;SLF Exclusive;CHEMBL2059026;[(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;SCHEMBL16683566;HMS3650M15;BDBM50388311;AKOS040740911;MS-29717;HY-114872;CS-0064537;SR-01000946810;SR-01000946810-1;(R)-1-(3-Aminophenyl)-3-(3,4-dimethoxyphenyl)propyl (S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;(R)-1-(3-Aminophenyl)-3-(3,4-dimethoxyphenyl)propyl(S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate

Suppliers and Price of [(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate

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
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price

Total 3 raw suppliers

Chemical Property of [(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate

Chemical Property:

XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:12
Exact Mass:524.28863700
Heavy Atom Count:38
Complexity:802

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCC2=CC(=C(C=C2)OC)OC)C3=CC(=CC=C3)N
Isomeric SMILES:CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCC2=CC(=C(C=C2)OC)OC)C3=CC(=CC=C3)N

Technology Process of [(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate

There total 12 articles about [(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-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: 88.0%

: 215168-85-7
(1R)-1-[3-N-(tert-butyloxycarbonyl)aminophenyl]-3-(3,4-dimethoxyphenyl)-1-propanyl (2S)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinecarboxylate

: 195513-96-3
SLF

Guidance literature:: With trimethylsilyl iodide; In acetonitrile; at 20 ℃; for 1h; Inert atmosphere;
DOI:10.1021/acsmedchemlett.0c00272

Reference yield:

: 121-89-1
3-Nitroacetophenone

: 195513-96-3
SLF

Guidance literature:: Multi-step reaction with 6 steps

1: 60 percent / aq. KOH / ethanol / 16 h / 20 °C

2: 64 percent / H₂ / Lindlar catalyst / aq. methanol / 6 h / 2068.59 - 2585.74 Torr

3: 97 percent / DIEA / CH₂Cl₂ / 16 h / 20 °C

4: 86 percent / (+)-DIP-chloride / tetrahydrofuran / -20 °C

5: 43 percent / DMAP; DCC / CH₂Cl₂ / 2 h / 20 °C

6: 77 percent / TFA / CH₂Cl₂ / 2 h / 20 °C

With dmap; potassium hydroxide; hydrogen; N-ethyl-N,N-diisopropylamine; dicyclohexyl-carbodiimide; trifluoroacetic acid; B-chlorodiisopinocampheylborane; Lindlar's catalyst; In tetrahydrofuran; methanol; ethanol; dichloromethane; 1: Condensation / 2: Hydrogenation / 3: Substitution / 4: Reduction / 5: Condensation / 6: Hydrolysis;
DOI:10.1016/S0968-0896(98)00125-4

Reference yield:

: 75573-20-5
(2E)-3-(3,4-dimethoxyphenyl)-1-(3-nitrophenyl)-2-propen-1-one

: 195513-96-3
SLF

Guidance literature:: Multi-step reaction with 5 steps

1: 64 percent / H₂ / Lindlar catalyst / aq. methanol / 6 h / 2068.59 - 2585.74 Torr

2: 97 percent / DIEA / CH₂Cl₂ / 16 h / 20 °C

3: 86 percent / (+)-DIP-chloride / tetrahydrofuran / -20 °C

4: 43 percent / DMAP; DCC / CH₂Cl₂ / 2 h / 20 °C

5: 77 percent / TFA / CH₂Cl₂ / 2 h / 20 °C

With dmap; hydrogen; N-ethyl-N,N-diisopropylamine; dicyclohexyl-carbodiimide; trifluoroacetic acid; B-chlorodiisopinocampheylborane; Lindlar's catalyst; In tetrahydrofuran; methanol; dichloromethane; 1: Hydrogenation / 2: Substitution / 3: Reduction / 4: Condensation / 5: Hydrolysis;
DOI:10.1016/S0968-0896(98)00125-4