Ridaifen-B

Base Information

• Chemical Name: Ridaifen-B
• CAS No.: 886465-70-9
• Molecular Formula: C₃₄H₄₂N₂O₂
• Molecular Weight: 510.72
• European Community (EC) Number: 635-836-0
• ChEMBL ID: CHEMBL392916
• DSSTox Substance ID: DTXSID60468369
• Nikkaji Number: J2.063.575D
• Pharos Ligand ID: 62VAGXAJLK75
• Mol file: 886465-70-9.mol

Synonyms:RID-B compound;ridaifen-B

Chemical Property of Ridaifen-B

Chemical Property:

• PSA: 24.94000
• LogP: 6.88070
• Storage Temp.: 2-8°C
• Solubility.: DMSO: ≥13mg/mL
• XLogP3: 8.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 510.324628587
• Heavy Atom Count: 38
• Complexity: 645

Purity/Quality:

97% ^*data from raw suppliers

RIDAIFEN-B 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=C(C1=CC=C(C=C1)OCCN2CCCC2)C3=CC=C(C=C3)OCCN4CCCC4)C5=CC=CC=C5
• Uses: Ridaifen-B is a novel tamoxifen (TAM) that has been shown to induce apoptosis.

Technology Process of Ridaifen-B

There total 6 articles about Ridaifen-B 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: 84.0%

1-(2-chloroethyl)pyrrolidine hydrochloride (7250-67-1) + 1,1-bis(4-hydroxyphenyl)-2-phenyl-1-butene (91221-46-4) → 2-(3-hydroxyphenyl)-1,1-bis{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1-butene (886465-70-9)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 50 ℃; for 0.5h;

DOI:10.1016/j.bmcl.2007.02.037

Reference yield:

4-(4-methoxyphenyl)-4-[4-(pivaloyloxy)phenyl]-3-phenylbut-1-ene (886463-36-1) → 2-(3-hydroxyphenyl)-1,1-bis{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1-butene (886465-70-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 93 percent / t-BuOK / dimethylsulfoxide / 1 h / 90 °C

2: 86 percent / BBr₃ / CH₂Cl₂ / 2 h / 0 °C

3: 84 percent / NaH / dimethylformamide / 0.5 h / 50 °C

With potassium tert-butylate; boron tribromide; sodium hydride; In dichloromethane; dimethyl sulfoxide; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2007.02.037

Reference yield:

4-pivaloyloxybenzaldehyde (95592-67-9) → 2-(3-hydroxyphenyl)-1,1-bis{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1-butene (886465-70-9)

Guidance literature:

Multi-step reaction with 4 steps

1: 78 percent / HfCl₄ / 2 h / 20 °C

2: 93 percent / t-BuOK / dimethylsulfoxide / 1 h / 90 °C

3: 86 percent / BBr₃ / CH₂Cl₂ / 2 h / 0 °C

4: 84 percent / NaH / dimethylformamide / 0.5 h / 50 °C

With potassium tert-butylate; boron tribromide; hafnium tetrachloride; sodium hydride; In dichloromethane; dimethyl sulfoxide; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2007.02.037

upstream raw materials:

1-(2-chloroethyl)pyrrolidine hydrochloride

1,1-bis(4-hydroxyphenyl)-2-phenyl-1-butene

4-(4-methoxyphenyl)-4-[4-(pivaloyloxy)phenyl]-3-phenylbut-1-ene

4-pivaloyloxybenzaldehyde