3-(4-Methylphenyl)prop-2-ynoyl chloride

Base Information

Chemical Name:3-(4-Methylphenyl)prop-2-ynoyl chloride
CAS No.:62849-00-7
Molecular Formula:C10H7ClO
Molecular Weight:178.618
Hs Code.:
DSSTox Substance ID:DTXSID10562760
Wikidata:Q82447030

Synonyms:3-(4-Methylphenyl)prop-2-ynoyl chloride;62849-00-7;3-(p-tolyl)propioloyl chloride;SCHEMBL14126185;DTXSID10562760;JZHBEHUWOPJTCJ-UHFFFAOYSA-N

Suppliers and Price of 3-(4-Methylphenyl)prop-2-ynoyl chloride

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3-(4-Methylphenyl)prop-2-ynoyl chloride

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:178.0185425
Heavy Atom Count:12
Complexity:225

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C#CC(=O)Cl

Technology Process of 3-(4-Methylphenyl)prop-2-ynoyl chloride

There total 6 articles about 3-(4-Methylphenyl)prop-2-ynoyl chloride 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:

: 2227-58-9
3-(4-methylphenyl)prop-2-ynoic acid

: 62849-00-7
p-Tolyl-propynoyl chloride

Guidance literature:: With sodium hydroxide; thionyl chloride; Yield given. Multistep reaction; 2) ether, reflux, 6 h;
DOI:10.1039/P19940002461

Reference yield:

: 52188-06-4
ethyl 3-(4-methylphenyl)prop-2-ynoate

: 62849-00-7
p-Tolyl-propynoyl chloride

Guidance literature:: Multi-step reaction with 2 steps

1: NaOH, benzyltriethylammonium chloride / H₂O; diethyl ether / 120 h

2: 1.) aq. NaOH, 2.) SOCl₂ / 2) ether, reflux, 6 h

With sodium hydroxide; thionyl chloride; N-benzyl-N,N,N-triethylammonium chloride; In diethyl ether; water;
DOI:10.1039/P19940002461

Reference yield:

: 1866-39-3,940-61-4
4-methylcinnamic acid

: 62849-00-7
p-Tolyl-propynoyl chloride

Guidance literature:: Multi-step reaction with 3 steps

1: bromine / chloroform / 0.33 h / Cooling with ice; Inert atmosphere; Schlenk technique

2: potassium hydroxide / 2 h / Reflux; Inert atmosphere; Schlenk technique

3: thionyl chloride / 2 h / Reflux; Inert atmosphere; Schlenk technique

With thionyl chloride; bromine; potassium hydroxide; In chloroform;
DOI:10.1039/c7cc08039e