1H-Pyrrole-3-methanol, 1-((2-chlorophenyl)methyl)-alpha-((bis(1-methylpropyl)amino)methyl)-, (R*-(R*,R*))-

Base Information

• Chemical Name: 1H-Pyrrole-3-methanol, 1-((2-chlorophenyl)methyl)-alpha-((bis(1-methylpropyl)amino)methyl)-, (R*-(R*,R*))-
• CAS No.: 122450-26-4
• Molecular Formula: C₂₁H₃₁ClN₂O
• Molecular Weight: 362.943
• DSSTox Substance ID: DTXSID00924176
• Mol file: 122450-26-4.mol

Synonyms:122450-26-4;1H-Pyrrole-3-methanol, 1-((2-chlorophenyl)methyl)-alpha-((bis(1-methylpropyl)amino)methyl)-, (R*-(R*,R*))-;DTXSID00924176;LS-136978;1-{1-[(2-Chlorophenyl)methyl]-1H-pyrrol-3-yl}-2-[di(butan-2-yl)amino]ethan-1-ol

Chemical Property of 1H-Pyrrole-3-methanol, 1-((2-chlorophenyl)methyl)-alpha-((bis(1-methylpropyl)amino)methyl)-, (R*-(R*,R*))-

Chemical Property:

• Vapor Pressure: 4E-10mmHg at 25°C
• Boiling Point: 482.6°Cat760mmHg
• Flash Point: 245.7°C
• Density: 1.07g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 362.2124913
• Heavy Atom Count: 25
• Complexity: 371

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)N(CC(C1=CN(C=C1)CC2=CC=CC=C2Cl)O)C(C)CC
• Isomeric SMILES: CC[C@@H](C)N(C[C@@H](C1=CN(C=C1)CC2=CC=CC=C2Cl)O)C(C)CC

Technology Process of 1H-Pyrrole-3-methanol, 1-((2-chlorophenyl)methyl)-alpha-((bis(1-methylpropyl)amino)methyl)-, (R*-(R*,R*))-

There total 16 articles about 1H-Pyrrole-3-methanol, 1-((2-chlorophenyl)methyl)-alpha-((bis(1-methylpropyl)amino)methyl)-, (R*-(R*,R*))- 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-o-chlorobenzylpyrrole (23694-46-4) → (S)-2-[Bis-((S)-sec-butyl)-amino]-1-[1-(2-chloro-benzyl)-1H-pyrrol-3-yl]-ethanol (122450-26-4,122518-84-7,122518-85-8,122518-86-9)

Guidance literature:

Multi-step reaction with 4 steps

1: 4 percent Spectr_. / tetrahydrofuran; H₂O

2: NaI / acetone / Ambient temperature; few minutes

3: dimethylsulfoxide / Ambient temperature

4: NaBH₄ / ethanol / 6 h / Ambient temperature

With sodium tetrahydroborate; sodium iodide; In tetrahydrofuran; ethanol; water; dimethyl sulfoxide; acetone;

DOI:10.1016/0223-5234(88)90093-1

Reference yield:

1-o-chlorobenzylpyrrole (23694-46-4) → (R)-2-[Bis-((S)-sec-butyl)-amino]-1-[1-(2-chloro-benzyl)-1H-pyrrol-3-yl]-ethanol (122450-26-4,122518-84-7,122518-85-8,122518-86-9)

Guidance literature:

Multi-step reaction with 4 steps

1: 4 percent Spectr_. / tetrahydrofuran; H₂O

2: NaI / acetone / Ambient temperature; few minutes

3: dimethylsulfoxide / Ambient temperature

4: NaBH₄ / ethanol / 6 h / Ambient temperature

With sodium tetrahydroborate; sodium iodide; In tetrahydrofuran; ethanol; water; dimethyl sulfoxide; acetone;

DOI:10.1016/0223-5234(88)90093-1

Reference yield:

3-Chloroacetylpyrrole (122450-28-6) → (R)-2-[Bis-((S)-sec-butyl)-amino]-1-[1-(2-chloro-benzyl)-1H-pyrrol-3-yl]-ethanol (122450-26-4,122518-84-7,122518-85-8,122518-86-9)

Guidance literature:

Multi-step reaction with 4 steps

1: 60 percent / 1.) NaH / tetrahydrofuran / Ambient temperature

2: NaI / acetone / Ambient temperature; few minutes

3: dimethylsulfoxide / Ambient temperature

4: NaBH₄ / ethanol / 6 h / Ambient temperature

With sodium tetrahydroborate; sodium hydride; sodium iodide; In tetrahydrofuran; ethanol; dimethyl sulfoxide; acetone;

DOI:10.1016/0223-5234(88)90093-1

upstream raw materials:

2-[Bis-((S)-sec-butyl)-amino]-1-[1-(2-chloro-benzyl)-1H-pyrrol-3-yl]-ethanone

1-o-chlorobenzylpyrrole

3-Chloroacetylpyrrole

1-chloro-2-(chloromethyl)benzene

Refernces