Methyl 4-(isopentyloxy)benzenecarboxylate

Base Information

• Chemical Name: Methyl 4-(isopentyloxy)benzenecarboxylate
• CAS No.: 408340-71-6
• Molecular Formula: C13H18O3
• Molecular Weight: 222.284
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID50376924
• Wikidata: Q82165861
• Mol file: 408340-71-6.mol

Synonyms:Methyl 4-(isopentyloxy)benzenecarboxylate;408340-71-6;methyl 4-(3-methylbutoxy)benzoate;Methyl 4-(isopentyloxy)benzoate;METHYL 4-(ISOPENTYLOXY)BENZENECARBOXYLAT;SCHEMBL12694298;DTXSID50376924;methyl4-(3-methylbutoxy)benzoate;ULKCRLYLWOPDGY-UHFFFAOYSA-N;MFCD06659534;AKOS005069374;CS-0361851;10Y-0923;Benzoic acid, 4-(3-methylbutyl)oxy-, methyl ester;J-522255

Chemical Property of Methyl 4-(isopentyloxy)benzenecarboxylate

Chemical Property:

• PSA: 35.53000
• LogP: 2.89810
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 222.125594432
• Heavy Atom Count: 16
• Complexity: 205

Purity/Quality:

98%min ^*data from raw suppliers

Methyl4-(Isopentyloxy)benzenecarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCOC1=CC=C(C=C1)C(=O)OC

Technology Process of Methyl 4-(isopentyloxy)benzenecarboxylate

There total 3 articles about Methyl 4-(isopentyloxy)benzenecarboxylate 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:

1-chloro-3-methylbutane (107-84-6) + methyl 4-hydroxylbenzoate (99-76-3,156291-94-0) → 4-isopentyloxy-benzoic acid methyl ester (408340-71-6)

Guidance literature:

With potassium carbonate; In acetonitrile; at 50 ℃; for 12h;

DOI:10.1016/j.ejmech.2020.113106

Reference yield:

isopentyl iodide (541-28-6) + methyl 4-hydroxylbenzoate (99-76-3,156291-94-0) → 4-isopentyloxy-benzoic acid methyl ester (408340-71-6)

Guidance literature:

With sodium methylate;

Reference yield:

→ 4-isopentyloxy-benzoic acid methyl ester (408340-71-6)

Guidance literature:

4-Hydroxy-benzoesaeure-methylester, Na-methylat, Isopentylhalogenid;

DOI:10.1002/jps.2600520613

upstream raw materials:

isopentyl iodide

methyl 4-hydroxylbenzoate

1-chloro-3-methylbutane

Downstream raw materials:

4-isopentyloxy-benzoyl chloride

4-(isopentyloxy)benzoic acid