5-Ethynyl-2-methylaniline

Base Information

• Chemical Name: 5-Ethynyl-2-methylaniline
• CAS No.: 183322-53-4
• Molecular Formula: C9H9 N
• Molecular Weight: 131.177
• DSSTox Substance ID: DTXSID60596530
• Wikidata: Q82491812
• Mol file: 183322-53-4.mol

Synonyms:5-Ethynyl-2-methylaniline;183322-53-4;Benzenamine, 5-ethynyl-2-methyl-;Benzenamine, 5-ethynyl-2-methyl- (9CI);3-ethynyl-6-methylaniline;SCHEMBL1467057;DTXSID60596530;UASVPQOWYLTXIE-UHFFFAOYSA-N;MFCD18207361;AKOS006339734;AT27620;DB-315433;EN300-6461477

Chemical Property of 5-Ethynyl-2-methylaniline

Chemical Property:

• PSA: 26.02000
• LogP: 2.13970
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 131.073499291
• Heavy Atom Count: 10
• Complexity: 153

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C#C)N

Technology Process of 5-Ethynyl-2-methylaniline

There total 1 articles about 5-Ethynyl-2-methylaniline 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:

5-bromo-2-methylaniline (39478-78-9) → 3-ethynyl-6-methylaniline (183322-53-4)

Guidance literature:

5-bromo-2-methylaniline; With triethylamine; copper(l) iodide; In N,N-dimethyl-formamide; for 0.0833333h;

tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 80 ℃;

Reference yield:

3-ethynyl-6-methylaniline (183322-53-4) + 4-(pyridin-2-ylmethoxy)benzoic acid (50596-36-6) → N-(5-ethynyl-2-methylphenyl)-4-(pyridin-2-ylmethoxy)benzamide (1126367-56-3)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 18 - 25 ℃;

Reference yield:

3-ethynyl-6-methylaniline (183322-53-4) + CH2Cl2to + 4-chloro-6,7-bis(2-methoxyethoxy)quinazoline (183322-18-1) → [6,7-Bis-(2-methoxy-ethoxy)-quinazolin-4-yl]-(5-ethynyl-2-methyl-phenyl)-amine hydrochloride

Guidance literature:

With pyridine; In chloroform; N,N-dimethyl-formamide; acetone;

upstream raw materials:

5-bromo-2-methylaniline

Downstream raw materials:

N-(5-ethynyl-2-methylphenyl)-4-(pyridin-2-ylmethoxy)benzamide

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