Vhz6RT776L

Base Information

• Chemical Name: Vhz6RT776L
• CAS No.: 61311-51-1
• Molecular Formula: C₂₃H₃₀N₂O
• Molecular Weight: 350.504
• UNII: VHZ6RT776L
• DSSTox Substance ID: DTXSID901018409
• Nikkaji Number: J395.940F
• Mol file: 61311-51-1.mol

Synonyms:VHZ6RT776L;UNII-VHZ6RT776L;AD-1211, (R)-;61311-51-1;(-)-1-(3-Methyl-2-butenyl)-4-(2-(3-hydroxyphenyl)-1-phenylethyl)piperazine;Phenol, 3-(2-(4-(3-methyl-2-butenyl)-1-piperazinyl)-2-phenylethyl)-, (R)-;SCHEMBL25362861;DTXSID901018409;3-{(2R)-2-[4-(3-methylbut-2-en-1-yl)piperazin-1-yl]-2-phenylethyl}phenol

Chemical Property of Vhz6RT776L

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 350.235813585
• Heavy Atom Count: 26
• Complexity: 432

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=CCN1CCN(CC1)C(CC2=CC(=CC=C2)O)C3=CC=CC=C3)C
• Isomeric SMILES: CC(=CCN1CCN(CC1)[C@H](CC2=CC(=CC=C2)O)C3=CC=CC=C3)C

Technology Process of Vhz6RT776L

There total 10 articles about Vhz6RT776L 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:

(+/-)-1-benzyl-4-<2-(3-methoxyphenyl)-1-phenylethyl>piperazine dihydrochloride (61311-75-9) → (-)-1-(3-methyl-2-butenyl)-4-<2-(3-hydroxyphenyl)-1-phenylethyl>piperazine (61311-51-1)

Guidance literature:

Multi-step reaction with 5 steps

1: 70 percent / H₂, AcOH / 5percent Pd/C

2: 47percent aq. HBr, AcOH / 0.5 h / Heating

3: 89 percent / K₂CO₃ / methanol; H₂O / 1 h / Ambient temperature

4: sodium bis(2-methoxyethoxy)aluminum hydride (Vitride) / tetrahydrofuran; toluene / 2.5 h / Ambient temperature

With hydrogen bromide; hydrogen; potassium carbonate; acetic acid; sodium bis(2-methoxyethoxy)aluminium dihydride; palladium on activated charcoal; In tetrahydrofuran; methanol; water; toluene;

DOI:10.1021/jm00393a017

Reference yield:

(-)-1-benzyl-4-<2-(3-methoxyphenyl)-1-phenylethyl>piperazine dihydrochloride (109430-80-0) → (-)-1-(3-methyl-2-butenyl)-4-<2-(3-hydroxyphenyl)-1-phenylethyl>piperazine (61311-51-1)

Guidance literature:

Multi-step reaction with 4 steps

1: 88 percent / H₂, AcOH / 5percent Pd/C

2: 89 percent / 47percent aq. HBr / 1.5 h / Heating

3: 90 percent / K₂CO₃ / methanol; H₂O / 1 h / Ambient temperature

4: sodium bis(2-methoxyethoxy)aluminum hydride (Vitride) / tetrahydrofuran; toluene / 2.5 h / Ambient temperature

With hydrogen bromide; hydrogen; potassium carbonate; acetic acid; sodium bis(2-methoxyethoxy)aluminium dihydride; palladium on activated charcoal; In tetrahydrofuran; methanol; water; toluene;

DOI:10.1021/jm00393a017

Reference yield:

3,3-Dimethylacryloyl chloride (3350-78-5) → (-)-1-(3-methyl-2-butenyl)-4-<2-(3-hydroxyphenyl)-1-phenylethyl>piperazine (61311-51-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / K₂CO₃ / methanol; H₂O / 1 h / Ambient temperature

2: sodium bis(2-methoxyethoxy)aluminum hydride (Vitride) / tetrahydrofuran; toluene / 2.5 h / Ambient temperature

With potassium carbonate; sodium bis(2-methoxyethoxy)aluminium dihydride; In tetrahydrofuran; methanol; water; toluene;

DOI:10.1021/jm00393a017

upstream raw materials:

(-)-1-(3-methyl-2-butenyl)-4-<2-(3-hydroxyphenyl)-1-phenylethyl>piperazine

(-)-1-(3-methylcrotonyl)-4-<2-(3-hydroxyphenyl)-1-phenylethyl>piperazine

3,3-Dimethylacryloyl chloride

(+/-)-N-<2-(3-hydroxyphenyl)-1-phenylethyl>piperazine