N-[(1R,2E)-1-Methyl-3-phenyl-2-propen-1-yl]benzenamine

Base Information

• Chemical Name: N-[(1R,2E)-1-Methyl-3-phenyl-2-propen-1-yl]benzenamine
• CAS No.: 471930-02-6
• Molecular Formula: C₁₆H₁₇N
• Molecular Weight: 223.318
• DSSTox Substance ID: DTXSID201211131
• Nikkaji Number: J1.808.172E,J2.292.769H

Synonyms:DTXSID201211131;471930-02-6;N-[(1R,2E)-1-Methyl-3-phenyl-2-propen-1-yl]benzenamine

Chemical Property of N-[(1R,2E)-1-Methyl-3-phenyl-2-propen-1-yl]benzenamine

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 223.136099547
• Heavy Atom Count: 17
• Complexity: 222

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C=CC1=CC=CC=C1)NC2=CC=CC=C2
• Isomeric SMILES: C[C@H](/C=C/C1=CC=CC=C1)NC2=CC=CC=C2

Technology Process of N-[(1R,2E)-1-Methyl-3-phenyl-2-propen-1-yl]benzenamine

There total 11 articles about N-[(1R,2E)-1-Methyl-3-phenyl-2-propen-1-yl]benzenamine 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: 92.0%

(2R,3E)-4-phenyl-3-buten-2-ol (62413-47-2) + aniline (62-53-3) → (R)-(+)-N-(1-methyl-3-phenyl-2-propenyl)aniline (471930-02-6)

Guidance literature:

With magnesium sulfate; 1,2-(p-MeOC₆H₄)2cyclobuten[=P(2,4,6-tri-t-BuPh)]2PdOTf; In toluene; at 20 ℃; for 3h;

DOI:10.1021/ja0274406

Reference yield: 90.0%

aniline (62-53-3) + (R)-(Z)-4-phenyl-but-3-en-2-ol → (R)-(+)-N-(1-methyl-3-phenyl-2-propenyl)aniline (471930-02-6)

Guidance literature:

With C₄₉H₄₉O₈P₂Pd⁽¹⁺⁾*CF₃O₃S^(1-); In toluene; at 20 ℃; for 6h; enantiospecific reaction;

DOI:10.1002/chem.201705164

Reference yield: 79.0%

(R)-(-)-α-Phenyl-γ-methylallyl alcohol (87246-95-5) + aniline (62-53-3) → (R)-(+)-N-(1-methyl-3-phenyl-2-propenyl)aniline (471930-02-6)

Guidance literature:

With C₄₉H₄₉O₈P₂Pd⁽¹⁺⁾*CF₃O₃S^(1-); In toluene; at 20 ℃; for 6h; enantiospecific reaction;

DOI:10.1002/chem.201705164

upstream raw materials:

(2R,3E)-4-phenyl-3-buten-2-ol

aniline

(E)-N-((E)-4-phenylbut-3-en-2-ylidene)aniline

N-((E)-4-phenylbut-3-en-2-ylidene)aniline

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