N-(3-Phenyl-2-propyn-1-YL)-2-propen-1-amine

Base Information

• Chemical Name: N-(3-Phenyl-2-propyn-1-YL)-2-propen-1-amine
• CAS No.: 98729-78-3
• Molecular Formula: C12H13N
• Molecular Weight: 171.242
• DSSTox Substance ID: DTXSID10405926
• Nikkaji Number: J1.474.395B
• Wikidata: Q82210694

Synonyms:98729-78-3;N-(3-PHENYL-2-PROPYN-1-YL)-2-PROPEN-1-AMINE;N-(3-phenylprop-2-yn-1-yl)prop-2-en-1-amine;STK513141;(3-phenylprop-2-yn-1-yl)(prop-2-en-1-yl)amine;3-phenyl-N-prop-2-enylprop-2-yn-1-amine;N-Allyl-3-phenylpropargylamine;DTXSID10405926;AKOS000284662;N-(3-Phenyl-2-propyn-1-yl)-2-propen-1-amine x1hcl

Chemical Property of N-(3-Phenyl-2-propyn-1-YL)-2-propen-1-amine

Chemical Property:

• Vapor Pressure: 0.00651mmHg at 25°C
• Boiling Point: 271.3°C at 760 mmHg
• Flash Point: 119.4°C
• Density: 0.97g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 171.104799419
• Heavy Atom Count: 13
• Complexity: 200

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCNCC#CC1=CC=CC=C1

Technology Process of N-(3-Phenyl-2-propyn-1-YL)-2-propen-1-amine

There total 2 articles about N-(3-Phenyl-2-propyn-1-YL)-2-propen-1-amine 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: 86.0%

1-amino-2-propene (107-11-9,30551-89-4) + 1-bromo-3-phenylprop-2-yne (1794-48-5) → N-(3-phenylprop-2-yn-1-yl)prop-2-en-1-amine (98729-78-3)

Guidance literature:

In diethyl ether; at 20 ℃; for 1h;

DOI:10.1016/S0022-328X(00)00835-4

Reference yield:

3-Phenyl-2-propyn-1-ol (1504-58-1) → N-(3-phenylprop-2-yn-1-yl)prop-2-en-1-amine (98729-78-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / Ph₃P; Br₂ / CH₂Cl₂ / 1 h / 0 °C

2: diethyl ether / 2 h / 20 °C

With bromine; triphenylphosphine; In diethyl ether; dichloromethane;

DOI:10.1016/j.tetasy.2006.03.036

Reference yield: 87.0%

p-toluenesulfonyl chloride (98-59-9) + N-(3-phenylprop-2-yn-1-yl)prop-2-en-1-amine (98729-78-3) → N-allyl-N-(3-phenyl-2-propynyl)-4-tolylsulfonamide (174712-01-7)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 0.583333h;

DOI:10.1016/S0022-328X(00)00835-4

upstream raw materials:

1-amino-2-propene

1-bromo-3-phenylprop-2-yne

3-Phenyl-2-propyn-1-ol

Downstream raw materials:

N-allyl-N-(3-phenyl-2-propynyl)-4-tolylsulfonamide

N-allyl-N-(3-phenylprop-2-yn-1-yl)benzimidamide

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