(4-Ethynylphenyl)methanamine hydrochloride

Base Information

• Chemical Name: (4-Ethynylphenyl)methanamine hydrochloride
• CAS No.: 935528-07-7
• Molecular Formula: C₉H₉N*ClH
• Molecular Weight: 167.638
• European Community (EC) Number: 860-526-9
• DSSTox Substance ID: DTXSID20583103

Synonyms:(4-Ethynylphenyl)methanamine hydrochloride;935528-07-7;MFCD27922631;(4-ethynylphenyl)methanamine;hydrochloride;SCHEMBL15878723;(4-Ethynylphenyl)methanamine HCl;DTXSID20583103;4-Ethynylbenzylamine Hydrochloride;AKOS022173587;4-ETHYNYL-BENZENEMETHANAMINE HCL;(4-Ethynylphenyl)methanaminehydrochloride;BS-18259;SY251658;CS-0188480;A50671;D82698;EN300-233952;A936668;1-(4-Ethynylphenyl)methanamine--hydrogen chloride (1/1)

Chemical Property of (4-Ethynylphenyl)methanamine hydrochloride

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 167.0501770
• Heavy Atom Count: 11
• Complexity: 134

Purity/Quality:

99% ^*data from raw suppliers

(4-Ethynylphenyl)methanaminehydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C#CC1=CC=C(C=C1)CN.Cl

Technology Process of (4-Ethynylphenyl)methanamine hydrochloride

There total 6 articles about (4-Ethynylphenyl)methanamine 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: 93.0%

1-(azidomethyl)-4-ethynylbenzene (1097834-15-5) → (4-ethynylphenyl)methanamine monohydrochloride (935528-07-7)

Guidance literature:

1-(azidomethyl)-4-ethynylbenzene; With 1,3-diphenyl-disiloxane; triphenylphosphine; at 20 ℃; for 24h;

With water;

With hydrogenchloride; In 1,4-dioxane; chemoselective reaction;

DOI:10.1021/acs.joc.9b00831

Reference yield: 81.0%

4-(trimethylsilylethynyl)benzylamine hydrochloride → (4-ethynylphenyl)methanamine monohydrochloride (935528-07-7)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃; for 1h;

DOI:10.1021/jm0607707

Reference yield:

tert-butyl N-(4-bromobenzyl)carbamate (68819-84-1) → (4-ethynylphenyl)methanamine monohydrochloride (935528-07-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 91 percent / NEt₃; PPh₃; CuI / (Ph₃P)2Pd(Cl)2 / tetrahydrofuran / 20 °C

2: 80 percent / aq. HCl / ethyl acetate / 96 h / 20 °C

3: 81 percent / Bu₄NF / tetrahydrofuran / 1 h / 20 °C

With hydrogenchloride; copper(l) iodide; tetrabutyl ammonium fluoride; triethylamine; triphenylphosphine; bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; ethyl acetate; 1: Sonogashira coupling;

DOI:10.1021/jm0607707

upstream raw materials:

tert-butyl N-(4-bromobenzyl)carbamate

(4-trimethylsilylethyn-1-ylbenzyl)carbamic acid tert-butyl ester

1-(azidomethyl)-4-ethynylbenzene

4-cyanophenylacetylene

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