4-Methoxyphenyl 4'-(3-butenyloxy)benzoate

Base Information

• Chemical Name: 4-Methoxyphenyl 4'-(3-butenyloxy)benzoate
• CAS No.: 76487-56-4
• Molecular Formula: C18H18 O4
• Molecular Weight: 298.339
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID60227291
• Nikkaji Number: J993.200C
• Wikidata: Q83106999
• Mol file: 76487-56-4.mol

Synonyms:76487-56-4;4-Methoxyphenyl 4'-(3-butenyloxy)benzoate;4-Methoxyphenyl 4-(3-butenyloxy)benzoate;(4-methoxyphenyl) 4-but-3-enoxybenzoate;4-methoxyphenyl 4-(but-3-en-1-yloxy)benzoate;4-(3-Butenyloxy)benzoic Acid 4-Methoxyphenyl Ester;Benzoic acid, 4-(3-butenyloxy)-, 4-methoxyphenyl ester;4-METHOXYPHENYL 4/'-(3-BUTENYLOXY)BENZOATE;SCHEMBL738854;DTXSID60227291;CXPLNUIZUUBDCU-UHFFFAOYSA-N;MFCD00143337;AKOS025116686;AS-66979;4-Methoxyphenyl 4-(3-butenyloxy)benzoate #;CS-0183050;FT-0618950;M2106;4-methoxyphenyl4-(but-3-en-1-yloxy)benzoate;T72921;4-METHOXYPHENYL4-(3-BUTENYLOXY)BENZOATE;4-But-3-enyloxy-benzoic acid 4-methoxy-phenyl ester

Chemical Property of 4-Methoxyphenyl 4'-(3-butenyloxy)benzoate

Chemical Property:

• Boiling Point: 445.2oC at 760 mmHg
• Flash Point: 196.4oC
• PSA: 44.76000
• Density: 1.123g/cm3
• LogP: 3.86930
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 298.12050905
• Heavy Atom Count: 22
• Complexity: 339

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Methoxyphenyl 4-(3-Butenyloxy)benzoate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCC=C

Technology Process of 4-Methoxyphenyl 4'-(3-butenyloxy)benzoate

There total 3 articles about 4-Methoxyphenyl 4'-(3-butenyloxy)benzoate 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: 69.0%

4-methoxy-phenol (150-76-5) + 4-(n-but-3'-enyloxy)benzoic acid (115595-27-2) → 4-methoxyphenyl 4-(but-3-en-1-yloxy)benzoate (76487-56-4)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.14233/ajchem.2016.19651

Reference yield:

Ethyl 4-hydroxybenzoate (120-47-8) → 4-methoxyphenyl 4-(but-3-en-1-yloxy)benzoate (76487-56-4)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate / butanone / 48 h / Reflux

2: sodium hydroxide; water / methanol / 3 h / Reflux

3: dicyclohexyl-carbodiimide; dmap / dichloromethane / 24 h / 20 °C / Inert atmosphere

With dmap; water; potassium carbonate; dicyclohexyl-carbodiimide; sodium hydroxide; In methanol; dichloromethane; butanone;

DOI:10.14233/ajchem.2016.19651

Reference yield:

ethyl 4-(3-butenyloxy)benzoate (132995-66-5) → 4-methoxyphenyl 4-(but-3-en-1-yloxy)benzoate (76487-56-4)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide; water / methanol / 3 h / Reflux

2: dicyclohexyl-carbodiimide; dmap / dichloromethane / 24 h / 20 °C / Inert atmosphere

With dmap; water; dicyclohexyl-carbodiimide; sodium hydroxide; In methanol; dichloromethane;

DOI:10.14233/ajchem.2016.19651

upstream raw materials:

Ethyl 4-hydroxybenzoate

4-methoxy-phenol

4-(n-but-3'-enyloxy)benzoic acid

ethyl 4-(3-butenyloxy)benzoate

Refernces