4-(But-3-en-1-yloxycarbonyl)benzoic acid

Base Information

• Chemical Name: 4-(But-3-en-1-yloxycarbonyl)benzoic acid
• CAS No.: 62680-74-4
• Molecular Formula: C12H12O4
• Molecular Weight: 220.225
• European Community (EC) Number: 263-690-4
• DSSTox Substance ID: DTXSID60978291
• Nikkaji Number: J307.115D
• Wikidata: Q82963638
• Mol file: 62680-74-4.mol

Synonyms:62680-74-4;4-(But-3-en-1-yloxycarbonyl)benzoic acid;4-but-3-enoxycarbonylbenzoic acid;4-((But-3-en-1-yloxy)carbonyl)benzoic acid;EINECS 263-690-4;4-[(BUT-3-EN-1-YLOXY)CARBONYL]BENZOIC ACID;SCHEMBL9568783;DTXSID60978291;AKOS030228105;Terephthalic acid 1-(3-butenyl) ester;AS-64392;4-((But-3-en-1-yloxy)carbonyl)benzoicacid;4-{[(But-3-en-1-yl)oxy]carbonyl}benzoic acid

Chemical Property of 4-(But-3-en-1-yloxycarbonyl)benzoic acid

Chemical Property:

• Vapor Pressure: 2.28E-06mmHg at 25°C
• Boiling Point: 377.4°Cat760mmHg
• Flash Point: 145.8°C
• PSA: 63.60000
• Density: 1.193g/cm³
• LogP: 2.11770
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 220.07355886
• Heavy Atom Count: 16
• Complexity: 264

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCCOC(=O)C1=CC=C(C=C1)C(=O)O

Technology Process of 4-(But-3-en-1-yloxycarbonyl)benzoic acid

There total 1 articles about 4-(But-3-en-1-yloxycarbonyl)benzoic 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: 29.8%

homoalylic alcohol (627-27-0) + terephthalic acid (100-21-0) → terephthalic acid mono-3-butenyl ester (62680-74-4) + terephthalic acid di-3-butenyl ester

Guidance literature:

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 0 - 20 ℃;

DOI:10.1002/anie.201803947

Reference yield: 99.0%

terephthalic acid mono-3-butenyl ester (62680-74-4) + C26H42O2 (1166863-36-0) → C38H52O5 (1166863-42-8)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane; for 16h; Inert atmosphere; Reflux;

DOI:10.1016/j.tetlet.2009.03.191

Reference yield: 98.0%

terephthalic acid mono-3-butenyl ester (62680-74-4) + C29H48O2 (1166863-34-8) → C41H58O5 (1166863-40-6)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane; for 16h; Inert atmosphere; Reflux;

DOI:10.1016/j.tetlet.2009.03.191

upstream raw materials:

homoalylic alcohol

terephthalic acid

Downstream raw materials:

C₄₃H₆₂O₅

C₄₁H₅₈O₅

C₄₁H₅₈O₅

C₃₈H₅₂O₅

Refernces