2-Propynoic acid, diphenylmethyl ester

Base Information

• Chemical Name: 2-Propynoic acid, diphenylmethyl ester
• CAS No.: 65955-77-3
• Molecular Formula: C16H12O2
• Molecular Weight: 236.27
• DSSTox Substance ID: DTXSID70469009
• Wikidata: Q82296562

Synonyms:2-Propynoic acid, diphenylmethyl ester;65955-77-3;diphenylmethyl propiolate;DTXSID70469009

Chemical Property of 2-Propynoic acid, diphenylmethyl ester

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 236.083729621
• Heavy Atom Count: 18
• Complexity: 295

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2

Technology Process of 2-Propynoic acid, diphenylmethyl ester

There total 1 articles about 2-Propynoic acid, diphenylmethyl ester 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:

diazodiphenylmethane (908093-98-1) + Propiolic acid (471-25-0) → diphenylmethoxy propiolate (65955-77-3)

Guidance literature:

In dichloromethane; Yield given;

DOI:10.1139/v87-006

Reference yield: 80.0%

diphenylmethoxy propiolate (65955-77-3) + 4-cyano-3-phenyl-1,2,3-λ5-oxadiazol-3-ium-5-olate (4918-38-1) → 5-cyano-1-phenyl-1H-pyrazole-3-carboxylic acid benzhydryl ester (901759-37-3)

Guidance literature:

In chlorobenzene; for 48h; Heating;

DOI:10.1055/s-2006-939041

Reference yield: 74.0%

diphenylmethoxy propiolate (65955-77-3) + diphenylmethyl 6-diazopenicillanate (65293-13-2) → benzhydryl spiro[penicillanate-6,3’-(5-benzhydryloxycarbonyl-3H-pyrazole)]

Guidance literature:

In dichloromethane; at 45 ℃; for 3h; Inert atmosphere;

DOI:10.1016/j.ejmech.2021.113439

upstream raw materials:

diazodiphenylmethane

Propiolic acid

Downstream raw materials:

(S)-2-Benzhydryloxycarbonylmethyl-5,5-dimethyl-thiazolidine-4-carboxylic acid

(R)-2-Amino-3-((E)-2-benzhydryloxycarbonyl-vinyloxy)-butyric acid methyl ester

(2S,3R)-2-((E)-2-Benzhydryloxycarbonyl-vinylamino)-3-((E)-2-benzhydryloxycarbonyl-vinyloxy)-butyric acid methyl ester

(4S,5R)-2-Benzhydryloxycarbonylmethyl-3-((E)-2-benzhydryloxycarbonyl-vinyl)-5-methyl-oxazolidine-4-carboxylic acid methyl ester

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