C21-H31-Cl-N2-O

Base Information

• Chemical Name: C21-H31-Cl-N2-O
• CAS No.: 122518-86-9
• Molecular Formula: C₂₁H₃₁ClN₂O
• Molecular Weight: 362.943
• Mol file: 122518-86-9.mol

Synonyms:C21-H31-Cl-N2-O;122518-84-7;122518-85-8;122518-86-9;1H-Pyrrole-3-methanol, 1-((2-chlorophenyl)methyl)-alpha-((bis(1-methylpropyl)amino)methyl)-, (R*-(S*,S*))-;1H-Pyrrole-3-methanol, 1-((2-chlorophenyl)methyl)-alpha-((bis(1-methylpropyl)amino)methyl)-, (S*-(R*,R*))-;1H-Pyrrole-3-methanol, 1-((2-chlorophenyl)methyl)-alpha-((bis(1-methylpropyl)amino)methyl)-, (S*-(S*,S*))-;LS-136979;LS-136980;LS-136981

Chemical Property of C21-H31-Cl-N2-O

Chemical Property:

• Vapor Pressure: 4E-10mmHg at 25°C
• Boiling Point: 482.6°C at 760 mmHg
• 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:

Useful:

• Canonical SMILES: CCC(C)N(CC(C1=CN(C=C1)CC2=CC=CC=C2Cl)O)C(C)CC

Technology Process of C21-H31-Cl-N2-O

There total 16 articles about C21-H31-Cl-N2-O 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