Epr5gnz7KS

Base Information

• Chemical Name: Epr5gnz7KS
• CAS No.: 690999-15-6
• Molecular Formula: C₄₀H₅₇N₅O₂
• Molecular Weight: 639.925
• UNII: EPR5GNZ7KS
• Mol file: 690999-15-6.mol

Synonyms:1-(4-methoxypyridin-3-ylmethyl)-4-((N-(7-(3-(S)-1-carbamoyl-1,1-diphenylmethyl)pyrrolidin-1-yl)hept-1-yl)-N-(isopropyl)amino)piperidine;TD-6301

Chemical Property of Epr5gnz7KS

Chemical Property:

• XLogP3: 6.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 17
• Exact Mass: 639.45122608
• Heavy Atom Count: 47
• Complexity: 877

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)N(CCCCCCCN1CCC(C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)C4CCN(CC4)CC5=C(C=CN=C5)OC
• Isomeric SMILES: CC(C)N(CCCCCCCN1CC[C@H](C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)C4CCN(CC4)CC5=C(C=CN=C5)OC

Technology Process of Epr5gnz7KS

There total 4 articles about Epr5gnz7KS 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: 81.5%

4-isopropylamino-1-(4-methoxypyrid-3-ylmetyl)piperidine monobenzoic acid salt + (S)-3-(1-carbamoyl-1,1-diphenylmethyl)-1-(7-oxohept-1-yl)pyrrolidine hydrochloride → TD-6301 (690999-15-6)

Guidance literature:

4-isopropylamino-1-(4-methoxypyrid-3-ylmetyl)piperidine monobenzoic acid salt; (S)-3-(1-carbamoyl-1,1-diphenylmethyl)-1-(7-oxohept-1-yl)pyrrolidine hydrochloride; In dichloromethane; at 20 ℃; for 1h;

With sodium tris(acetoxy)borohydride; at 20 ℃; for 15 - 20h;

Reference yield: 26.0%

4-isopropylamino-1-(4-methoxypyrid-3-ylmethyl)piperidine (690998-87-9) + (S)-3-(1-carbamoyl-1,1-diphenylmethyl)-1-(7-oxohept-1-yl)pyrrolidine (690998-85-7) → TD-6301 (690999-15-6)

Guidance literature:

4-isopropylamino-1-(4-methoxypyrid-3-ylmethyl)piperidine; (S)-3-(1-carbamoyl-1,1-diphenylmethyl)-1-(7-oxohept-1-yl)pyrrolidine; In dichloromethane; at 20 ℃; for 1h;

With sodium tris(acetoxy)borohydride; In dichloromethane; at 20 ℃; for 20h;

Reference yield:

4-{N-[7-((3-(S)-1-carbamoyl-1,1-diphenylmethyl)pyrrolidin-1-yl)hept-2-yn-1-yl]-N-(isopropyl)amino}-1-(4-methoxypyrid-3-ylmethyl)piperidine (690999-16-7) → TD-6301 (690999-15-6)

Guidance literature:

4-{N-[7-((3-(S)-1-carbamoyl-1,1-diphenylmethyl)pyrrolidin-1-yl)hept-2-yn-1-yl]-N-(isopropyl)amino}-1-(4-methoxypyrid-3-ylmethyl)piperidine; With toluene-4-sulfonic acid hydrazide; In 1,2-dimethoxyethane; at 85 ℃; for 18h; Heating / reflux;

With water; sodium acetate; In 1,2-dimethoxyethane; for 18h; Heating / reflux;

upstream raw materials:

4-{N-[7-((3-(S)-1-carbamoyl-1,1-diphenylmethyl)pyrrolidin-1-yl)hept-2-yn-1-yl]-N-(isopropyl)amino}-1-(4-methoxypyrid-3-ylmethyl)piperidine

4-isopropylamino-1-(4-methoxypyrid-3-ylmethyl)piperidine

(S)-3-(1-carbamoyl-1,1-diphenylmethyl)-1-(7-oxohept-1-yl)pyrrolidine

2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide

Downstream raw materials:

4-{N-[7-(3-(S)-1-carbamoyl-1,1-diphenylmethylpyrrolidin-1-yl)-4-oxahept-1-yl]-N-(isopropyl)amino}-1-(4-methoxypyrid-3-ylmethyl)piperidine

4-{N-[7-(3-(S)-1-carbamoyl-1,1-diphenylmethylpyrrolidin-1-yl)hept-1-yl]-N-(ethyl)amino}-1-(2-methoxypyrid-3-ylmethyl)piperidine

4-{{N-[7-(3-(S)-1-carbamoyl-1,1-diphenylmethyl)-pyrrolidin-1-yl]hept-1-yl}-N-(isopropyl)amino}-1-(4-methoxypyrid-3-ylmethyl)-piperidine naphthalene-1,5-disulfonic acid salt

4-{N-[7-((3-(S)-1-carbamoyl-1,1-diphenylmethyl)pyrrolidin-1-yl)hept-1-yl]-N-(isopropyl)amino}-1-(4-methoxypyrid-3-ylmethyl)piperidine monosulfuric acid salt

Refernces

• 1、 -. "NAPHTHALENE-1,5-DISULFONIC ACID SALTS OF A SUBSTITUTED 4-AMINO-1-(PYRIDYLMETHYL)PIPERIDINE COMPOUND". Page/Page column 34-35. . Retrieved 2010/02/11.