Ethyl 3-(pentan-3-yloxy)benzoate

Base Information

• Chemical Name: Ethyl 3-(pentan-3-yloxy)benzoate
• CAS No.: 1151665-78-9
• Molecular Formula: C₁₄H₂₀O₃
• Molecular Weight: 236.311
• UNII: YKF7XBG3C7
• Mol file: 1151665-78-9.mol

Synonyms:ethyl 3-(pentan-3-yloxy)benzoate;1151665-78-9;YKF7XBG3C7;SCHEMBL931301;Ethyl 3-(1-ethylpropoxy)benzoate;MYVMYIHSZTVKQY-UHFFFAOYSA-N;CS-0164969;Benzoic acid, 3-(1-ethylpropoxy)-, ethyl ester;Ethyl 3-(pentan-3-yloxy)benzoate (Oseltamivir Impurity pound(c)

Chemical Property of Ethyl 3-(pentan-3-yloxy)benzoate

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 236.14124450
• Heavy Atom Count: 17
• Complexity: 224

Purity/Quality:

≥95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(CC)OC1=CC=CC(=C1)C(=O)OCC

Technology Process of Ethyl 3-(pentan-3-yloxy)benzoate

There total 2 articles about Ethyl 3-(pentan-3-yloxy)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: 95.8%

tert-butylamine (75-64-9) + (1S,5R,6S)-5-(pentan-3-yloxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid ethyl ester (204254-96-6,1217834-81-5,1266663-89-1,2413185-89-2) → C14H20O3 (1151665-78-9) + C14H23ClO4 + (3R,4S,5R)-[5-(tert-butylamino)-4-hydroxy-3-(pent-3-yloxy)]cyclohex-1-ene-1-carboxylic acid ethyl ester (651324-04-8)

Guidance literature:

tert-butylamine; With magnesium chloride; In toluene; at 10 ℃; for 1h;

(1S,5R,6S)-5-(pentan-3-yloxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid ethyl ester; In toluene; at 60 ℃; for 48h; Temperature; Time;

Reference yield:

(3R,4S,5R)-4-acetylamino-3-(1-ethyl-propoxy)-5-methanesulfonyloxy-cyclohex-1-enecarboxylic acid ethyl ester (1132659-99-4) → C14H20O3 (1151665-78-9)

Guidance literature:

With benzylamine; In ethanol; water;

DOI:10.1021/jo900218k

upstream raw materials:

(3R,4S,5R)-4-acetylamino-3-(1-ethyl-propoxy)-5-methanesulfonyloxy-cyclohex-1-enecarboxylic acid ethyl ester

tert-butylamine

(1S,5R,6S)-5-(pentan-3-yloxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid ethyl ester