4-(((S)-2-((S)-3-Hydroxypyrrolidin-1-yl)-1-phenylethyl)(methyl)amino)-N-propylbenzamide

Base Information

Chemical Name:4-(((S)-2-((S)-3-Hydroxypyrrolidin-1-yl)-1-phenylethyl)(methyl)amino)-N-propylbenzamide
CAS No.:204970-97-8
Molecular Formula:C23H31N3O2
Molecular Weight:381.518
Hs Code.:
UNII:1H222AV8TU
DSSTox Substance ID:DTXSID101125775
Nikkaji Number:J1.770.409E
Wikidata:Q27252405

Synonyms:CJ-15,161;CJ-15161

Suppliers and Price of 4-(((S)-2-((S)-3-Hydroxypyrrolidin-1-yl)-1-phenylethyl)(methyl)amino)-N-propylbenzamide

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
Packaging
price

Total 2 raw suppliers

Chemical Property of 4-(((S)-2-((S)-3-Hydroxypyrrolidin-1-yl)-1-phenylethyl)(methyl)amino)-N-propylbenzamide

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:381.24162724
Heavy Atom Count:28
Complexity:473

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCNC(=O)C1=CC=C(C=C1)N(C)C(CN2CCC(C2)O)C3=CC=CC=C3
Isomeric SMILES:CCCNC(=O)C1=CC=C(C=C1)N(C)[C@H](CN2CC[C@@H](C2)O)C3=CC=CC=C3

Technology Process of 4-(((S)-2-((S)-3-Hydroxypyrrolidin-1-yl)-1-phenylethyl)(methyl)amino)-N-propylbenzamide

There total 19 articles about 4-(((S)-2-((S)-3-Hydroxypyrrolidin-1-yl)-1-phenylethyl)(methyl)amino)-N-propylbenzamide 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: 81.0%

: 473916-34-6
(2'S,3S)-3-benzoyloxy-N-{2-[N-methyl-N-4-(N-propylaminocarbonyl)phenyl]amino-2-phenyl}ethylpyrrolidine

: 204970-97-8
(2'S,3S)-3-hydroxy-N-{2-[N-methyl-N-4-(N-propylaminocarbonyl)phenyl]amino-2-phenyl}ethylpyrrolidine

Guidance literature:: With sodium hydroxide; In isopropyl alcohol;
DOI:10.1039/b204844b

Reference yield:

: 20989-17-7
(2S)-2-phenylglycinol

: 204970-97-8
(2'S,3S)-3-hydroxy-N-{2-[N-methyl-N-4-(N-propylaminocarbonyl)phenyl]amino-2-phenyl}ethylpyrrolidine

Guidance literature:: Multi-step reaction with 8 steps

1: 91 percent / tetrahydrofuran

2: SOCl₂; Et₃N / CH₂Cl₂

3: 94 percent / aq. NaIO₄; RuCl₃ / acetonitrile / 1 h / 0 - 20 °C

4: 70 percent / Et₃N / ethyl acetate

5: 100 percent / aq. HCl / various solvent(s)

6: 42 percent / (o-biphen)P(t-Bu)2; Cs₂CO₃ / Pd₂(dba)3 / toluene / 100 °C

7: 55 percent / NaCNBH₃; TMSCl; MgSO₄

8: 81 percent / aq. NaOH / propan-2-ol

With hydrogenchloride; ruthenium trichloride; sodium hydroxide; sodium periodate; chloro-trimethyl-silane; thionyl chloride; sodium cyanoborohydride; magnesium sulfate; caesium carbonate; triethylamine; johnphos; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; In tetrahydrofuran; dichloromethane; ethyl acetate; isopropyl alcohol; toluene; acetonitrile;
DOI:10.1039/b204844b

Reference yield:

: 130406-31-4
benzyl (S)-(2-hydroxy-1-phenylethyl)carbamate

: 204970-97-8
(2'S,3S)-3-hydroxy-N-{2-[N-methyl-N-4-(N-propylaminocarbonyl)phenyl]amino-2-phenyl}ethylpyrrolidine

Guidance literature:: Multi-step reaction with 8 steps

1: SOCl₂; Et₃N / CH₂Cl₂

2: 94 percent / aq. NaIO₄; RuCl₃ / acetonitrile / 1 h / 0 - 20 °C

3: 70 percent / Et₃N / ethyl acetate

4: 100 percent / aq. HCl / various solvent(s)

5: 100 percent / HCO₂NH₄ / Pd/C / tetrahydrofuran

6: 42 percent / (o-biphen)P(t-Bu)2; Cs₂CO₃ / Pd₂(dba)3 / toluene / 100 °C

7: 55 percent / NaCNBH₃; TMSCl; MgSO₄

8: 81 percent / aq. NaOH / propan-2-ol

With hydrogenchloride; ruthenium trichloride; sodium hydroxide; sodium periodate; chloro-trimethyl-silane; thionyl chloride; ammonium formate; sodium cyanoborohydride; magnesium sulfate; caesium carbonate; triethylamine; johnphos; palladium on activated charcoal; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; In tetrahydrofuran; dichloromethane; ethyl acetate; isopropyl alcohol; toluene; acetonitrile;
DOI:10.1039/b204844b