Acetic acid, (((6S)-6-((3-(diphenylmethyl)-6-oxo-1(6H)-pyridazinyl)methyl)-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)-

Base Information

• Chemical Name: Acetic acid, (((6S)-6-((3-(diphenylmethyl)-6-oxo-1(6H)-pyridazinyl)methyl)-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)-
• CAS No.: 172936-99-1
• Molecular Formula: C₃₀H₂₈N₂O₄
• Molecular Weight: 480.563
• UNII: 1H463450OS
• Nikkaji Number: J1.446.379H
• Wikidata: Q27252412
• Pharos Ligand ID: PRWMYTWR2GK1
• ChEMBL ID: CHEMBL94751
• Mol file: 172936-99-1.mol

Synonyms:FR 181877;FR-181877;FR181877

Chemical Property of Acetic acid, (((6S)-6-((3-(diphenylmethyl)-6-oxo-1(6H)-pyridazinyl)methyl)-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)-

Chemical Property:

• XLogP3: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 480.20490738
• Heavy Atom Count: 36
• Complexity: 809

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC2=C(CC1CN3C(=O)C=CC(=N3)C(C4=CC=CC=C4)C5=CC=CC=C5)C=CC=C2OCC(=O)O
• Isomeric SMILES: C1CC2=C(C[C@H]1CN3C(=O)C=CC(=N3)C(C4=CC=CC=C4)C5=CC=CC=C5)C=CC=C2OCC(=O)O

Technology Process of Acetic acid, (((6S)-6-((3-(diphenylmethyl)-6-oxo-1(6H)-pyridazinyl)methyl)-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)-

There total 11 articles about Acetic acid, (((6S)-6-((3-(diphenylmethyl)-6-oxo-1(6H)-pyridazinyl)methyl)-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)- 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: 82.0%

[6-(3-benzhydryl-6-oxo-6H-pyridazin-1-ylmethyl)-5,6,7,8-tetrahydro-naphthalen-1-yloxy]-acetic acid ethyl ester (172936-67-3) → FR181877 (172936-99-1)

Guidance literature:

With sodium hydroxide; In 1,2-dimethoxyethane; at 85 ℃;

DOI:10.1016/S0960-894X(00)00571-0

Reference yield:

2-[(1,2,3,4-tetrahydro-5-ethoxycarbonylmethoxy-2-naphthyl)methyl]-6-diphenylmethyl-3(2H)-pyridazinone → 2-[(1,2,3,4-tetrahydro-5-carboxymethoxy-2-naphthyl)methyl]-6-diphenylmethyl-3(2H)-pyridazinone (172936-99-1)

Guidance literature:

With sodium hydroxide; In 1,2-dimethoxyethane;

Reference yield:

(1R,2S)-methyl [1-hydroxy-5-methoxy-1,2,3,4-tetrahydro-2-naphthyl]formate (328553-17-9) → FR181877 (172936-99-1)

Guidance literature:

Multi-step reaction with 7 steps

1: H₂ / 10 percent Pd/C / methanol / 20 °C / 2280 Torr

2: 99 percent / LiAlH₄ / tetrahydrofuran / -70 °C

3: Et₃N / CH₂Cl₂ / 0 °C

4: t-BuOK; 18-crown-6 / dimethylformamide / 20 °C

5: 83 percent / BBr₃ / CH₂Cl₂ / Heating

6: 95 percent / K₂CO₃ / dimethylformamide / 20 - 50 °C

7: 82 percent / 1N aq. NaOH / 1,2-dimethoxy-ethane / 85 °C

With sodium hydroxide; lithium aluminium tetrahydride; 18-crown-6 ether; potassium tert-butylate; hydrogen; boron tribromide; potassium carbonate; triethylamine; palladium on activated charcoal; In tetrahydrofuran; methanol; 1,2-dimethoxyethane; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1016/S0960-894X(00)00571-0

upstream raw materials:

[6-(3-benzhydryl-6-oxo-6H-pyridazin-1-ylmethyl)-5,6,7,8-tetrahydro-naphthalen-1-yloxy]-acetic acid ethyl ester

1,1-diphenylacetone

chroman-3-ylmethanol

methyl 5-methoxy-1,2,3,4-tetrahydro-(2S)-2-naphthoate