T-817 maleate

Base Information

• Chemical Name: T-817 maleate
• CAS No.: 519187-97-4
• Molecular Formula: C₄H₄O₄*C₁₆H₂₁NO₂S
• Molecular Weight: 407.488
• UNII: 0LB9F7I5P3
• ChEMBL ID: CHEMBL4297438
• Mol file: 519187-97-4.mol

Synonyms:1-(3-(2-(1-benzothiophen-5-yl) ethoxy) propyl)-3-azetidinol maleate;T-817MA

Chemical Property of T-817 maleate

Chemical Property:

• PSA: 135.54000
• LogP: 2.17670
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 407.14025869
• Heavy Atom Count: 28
• Complexity: 415

Purity/Quality:

99% ^*data from raw suppliers

Edonerpicmaleate >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(CN1CCCOCCC2=CC3=C(C=C2)SC=C3)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: C1C(CN1CCCOCCC2=CC3=C(C=C2)SC=C3)O.C(=C\C(=O)O)\C(=O)O
• Recent EU Clinical Trials: A Phase 2 multi-center, randomized, double-blind, placebo-controlled, parallel group study to evaluate the efficacy and safety of T 817MA in patients with mild cognitive impairment due to Alzheimer’s Disease or mild Alzheimer’s Disease.
• Uses: 3-Azetidinol, 1-[3-(2-benzo[b]thien-5-ylethoxy)propyl]-, (2Z)-2-butenedioate (1:1) can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development process and chemical production process.

Technology Process of T-817 maleate

There total 4 articles about T-817 maleate 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:

(2E)-but-2-enedioic acid (110-17-8,26099-09-2) → 1-(3-(2-(1-benzothiophen-5-yl)ethoxy)propyl)-3-azetidinol hemifumarate (519187-97-4)

Guidance literature:

1-(3-(2-(1-benzothiophen-5-yl)ethoxy)propionyl)azetidin-3-ol; With borane-THF; In tetrahydrofuran; at 20 ℃; for 5h;

With hydrogenchloride; In tetrahydrofuran; water; for 1.5h; Heating / reflux;

(2E)-but-2-enedioic acid; In ethanol; ethyl acetate; at 5 - 74 ℃; for 0.5h;

Reference yield:

1-(3-(2-(1-benzothiophene-5-yl)ethoxy)propyl)-3-azetidinol (519187-23-6) + maleic acid (110-16-7,26099-09-2) → 1-{3-[2-(1-benzothiophen-5-yl)ethoxy]propyl}azetidin-3-ol maleate (519187-97-4)

Guidance literature:

In acetone; at 5 - 60 ℃; for 0.5h;

Reference yield:

1-(3-(2-(1-benzothiophene-5-yl)ethoxy)propyl)-3-azetidinol (519187-23-6) + (2E)-but-2-enedioic acid (110-17-8,26099-09-2) → 1-(3-(2-(1-benzothiophen-5-yl)ethoxy)propyl)-3-azetidinol hemifumarate (519187-97-4)

Guidance literature:

1-(3-(2-(1-benzothiophene-5-yl)ethoxy)propyl)-3-azetidinol; (2E)-but-2-enedioic acid; In ethanol; at 70 ℃; for 0.5h;

In ethyl acetate; at 5 - 60 ℃; for 2.25h;

upstream raw materials:

maleic acid

1-(3-(2-(1-benzothiophene-5-yl)ethoxy)propyl)-3-azetidinol

(2E)-but-2-enedioic acid