2-hex-4-en-1-yn-3-yloxycarbonylbenzoic Acid

Base Information

• Chemical Name: 2-hex-4-en-1-yn-3-yloxycarbonylbenzoic Acid
• CAS No.: 175205-32-0
• Molecular Formula: C₁₄H₁₂O₄
• Molecular Weight: 244.247
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID00372279
• Mol file: 175205-32-0.mol

Synonyms:2-hex-4-en-1-yn-3-yloxycarbonylbenzoic Acid;175205-32-0;2-[[(1-ETH-1-YNYLBUT-2-ENYL)OXY]CARBONYL]BENZOIC ACID;Oprea1_239837;DTXSID00372279;FT-0610890

Chemical Property of 2-hex-4-en-1-yn-3-yloxycarbonylbenzoic Acid

Chemical Property:

• Vapor Pressure: 6.22E-08mmHg at 25°C
• Boiling Point: 423.6°Cat760mmHg
• Flash Point: 161.1°C
• PSA: 63.60000
• Density: 1.22g/cm³
• LogP: 2.11950
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 244.07355886
• Heavy Atom Count: 18
• Complexity: 388

Purity/Quality:

98%min ^*data from raw suppliers

2-[[(1-ETH-1-YNYLBUT-2-ENYL)OXY]CARBONYL]BENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CC(C#C)OC(=O)C1=CC=CC=C1C(=O)O

Technology Process of 2-hex-4-en-1-yn-3-yloxycarbonylbenzoic Acid

There total 3 articles about 2-hex-4-en-1-yn-3-yloxycarbonylbenzoic Acid 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:

→ phthalic acid mono-((S)-1-ethynyl-buten-(2)-yl ester) (175205-32-0)

Guidance literature:

With Cinchonidin;

DOI:10.1039/jr9450000273

Reference yield:

→ phthalic acid mono-((R)-1-ethynyl-buten-(2)-yl ester) (175205-32-0)

Guidance literature:

With Cinchonidin;

DOI:10.1039/jr9450000273

Reference yield:

phthalic anhydride (85-44-9) → (+/-)-phthalic acid mono-(1-ethynyl-buten-(2)-yl ester) (175205-32-0)

Guidance literature:

With pyridine;

DOI:10.1039/jr9450000273

upstream raw materials:

phthalic anhydride

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