(R)-(-)-N-(2-(3-((6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)carbonyl)piperidino)ethyl)-4-fluorobenzamide

Base Information

Chemical Name:(R)-(-)-N-(2-(3-((6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)carbonyl)piperidino)ethyl)-4-fluorobenzamide
CAS No.:312752-85-5
Molecular Formula:C₂₆H₃₂FN₃O₄
Molecular Weight:469.556
Hs Code.:
UNII:CUE40R3FTQ
DSSTox Substance ID:DTXSID401040110
Nikkaji Number:J2.566.014E
Mol file:312752-85-5.mol

Synonyms:YM 758;YM-758;YM758 cpd

Suppliers and Price of (R)-(-)-N-(2-(3-((6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)carbonyl)piperidino)ethyl)-4-fluorobenzamide

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 5 raw suppliers

Chemical Property of (R)-(-)-N-(2-(3-((6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)carbonyl)piperidino)ethyl)-4-fluorobenzamide

Chemical Property:

PSA：71.11000
LogP:3.13630
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:469.23768467
Heavy Atom Count:34
Complexity:687

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=C(C=C2CN(CCC2=C1)C(=O)C3CCCN(C3)CCNC(=O)C4=CC=C(C=C4)F)OC
Isomeric SMILES:COC1=C(C=C2CN(CCC2=C1)C(=O)[C@@H]3CCCN(C3)CCNC(=O)C4=CC=C(C=C4)F)OC
Recent EU Clinical Trials:A RANDOMIZED, DOUBLE BLIND, PLACEBO CONTROLLED STUDY TO EVALUATE THE SAFETY, TOLERABILITY AND PRELIMINARY EFFICACY OF A FOUR-WEEK TREATMENT WITH YM758 IN SUBJECTS WITH STABLE ANGINA.

Technology Process of (R)-(-)-N-(2-(3-((6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)carbonyl)piperidino)ethyl)-4-fluorobenzamide

There total 6 articles about (R)-(-)-N-(2-(3-((6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)carbonyl)piperidino)ethyl)-4-fluorobenzamide 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:

: 721452-55-7
YM-234903

: 2328-12-3
6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline monohydrochloride

: 312752-85-5
[14C]-YM₇₅₈

Guidance literature:: With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In DMF (N,N-dimethyl-formamide); at -4 - 12 ℃; for 15.5h; Product distribution / selectivity; Industry scale;

Reference yield:

: 721452-52-4
ethyl (R)-1-{2-[(4-fluorobenzoyl)amino]ethyl}piperidine-3-carboxylate

: 1745-07-9
6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

: 312752-85-5
[14C]-YM₇₅₈

Guidance literature:: ethyl (R)-1-{2-[(4-fluorobenzoyl)amino]ethyl}piperidine-3-carboxylate; 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline; With diisobutylaluminium hydride; In toluene; at 20 - 60 ℃;

With methanol; sodium hydroxide; water; at 15 ℃;

With hydrogenchloride; In water; ethyl acetate; Product distribution / selectivity;

Reference yield:

: 2-(4-fluorophenyl)-4,5-dihydro-oxazole

: 312752-85-5
[14C]-YM₇₅₈

Guidance literature:: Multi-step reaction with 3 steps

1: toluene-4-sulfonic acid / ethyl acetate; toluene / 32 h / Reflux; Large scale

2: sodium hydroxide / water; ethanol / 2 h / 25 °C / Large scale

3: triethylamine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / N,N-dimethyl-formamide / 14 h / -4 - 5 °C / Large scale

With benzotriazol-1-ol; toluene-4-sulfonic acid; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; sodium hydroxide; In ethanol; water; ethyl acetate; N,N-dimethyl-formamide; toluene;
DOI:10.1021/op5002885