3-Phenyl-2-propyn-1-amine hydrochloride

Base Information

• Chemical Name: 3-Phenyl-2-propyn-1-amine hydrochloride
• CAS No.: 30011-36-0
• Molecular Formula: C9H9N.ClH
• Molecular Weight: 167.638
• Hs Code.: 2921499090
• European Community (EC) Number: 872-315-9
• DSSTox Substance ID: DTXSID80474700
• ChEMBL ID: CHEMBL1255940
• Mol file: 30011-36-0.mol

Synonyms:30011-36-0;3-Phenyl-2-propyn-1-amine hydrochloride;3-phenylprop-2-yn-1-amine hydrochloride;3-Phenylpropargylamine hydrochloride;3-phenylprop-2-yn-1-amine;hydrochloride;2-Propyn-1-amine, 3-phenyl-, hydrochloride;3-Phenylprop-2-yn-1-amine HCl;EU-0101016;3-Phenylpropargylamine HCl;3-PHENYLPROP-2-YN-1-AMINEHYDROCHLORIDE;SCHEMBL1321859;CHEMBL1255940;DTXSID80474700;GEO-02128;MFCD00055198;AKOS025146872;AB10165;NCGC00094308-01;BS-52152;CS-0215615;FT-0733875;P-106;EN300-26681;3-Phenyl-2-propyn-1-amine hydrochloride, 97%;SR-01000075637;SR-01000075637-1;W-200290;Z227964210

Chemical Property of 3-Phenyl-2-propyn-1-amine hydrochloride

Chemical Property:

• Melting Point: 222-226°C
• PSA: 26.02000
• LogP: 2.49910
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 167.0501770
• Heavy Atom Count: 11
• Complexity: 143

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-phenylprop-2-yn-1-aminehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C#CCN.Cl

Technology Process of 3-Phenyl-2-propyn-1-amine hydrochloride

There total 4 articles about 3-Phenyl-2-propyn-1-amine hydrochloride 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-<<(Triphenylphosphoranylidene)amino>methyl>benzotriazole (124316-00-3) + lithium phenylacetylide (4440-01-1) → 3-phenylprop-2-yn-1-amine hydrochloride (30011-36-0)

Guidance literature:

With hydrogenchloride; 1.) THF/diethyl ether, 20 min, rt.; 2.) diethyl ether, 1h;

DOI:10.1016/S0040-4039(00)99227-X

Reference yield: 78.0%

iodobenzene (591-50-4) + N-tert-Butoxycarbonyl-1-amino-3-propyne (92136-39-5) → 3-phenylprop-2-yn-1-amine hydrochloride (30011-36-0)

Guidance literature:

iodobenzene; N-tert-Butoxycarbonyl-1-amino-3-propyne; With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In acetonitrile; Inert atmosphere;

With hydrogenchloride; In dichloromethane; ethyl acetate; at 0 ℃; Inert atmosphere;

DOI:10.1002/cjoc.202000133

Reference yield: 57.0%

(3-phenyl-prop-2-ynyl)-carbamic acid tert-butyl ester (512785-77-2) → 3-phenylprop-2-yn-1-amine hydrochloride (30011-36-0)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; 1,4-dioxane; at 20 ℃;

DOI:10.1002/adsc.201500610

upstream raw materials:

1-<<(Triphenylphosphoranylidene)amino>methyl>benzotriazole

lithium phenylacetylide

2-(3-phenylprop-2-yn-1-yl)isoindoline-1,3-dione

(3-phenyl-prop-2-ynyl)-carbamic acid tert-butyl ester

Downstream raw materials:

C₁₀H₁₁BN₂

C₉H₁₂BN

C₁₆H₁₅BN₂

C₁₀H₁₁BN₂