Ethyl 7-hydroxy-7-phenylheptanoate

Base Information

• Chemical Name: Ethyl 7-hydroxy-7-phenylheptanoate
• CAS No.: 112665-42-6
• Molecular Formula: C15H22O3
• Molecular Weight: 250.338
• Hs Code.: 2918199090
• DSSTox Substance ID: DTXSID20568612
• Nikkaji Number: J2.214.059K
• Mol file: 112665-42-6.mol

Synonyms:Ethyl 7-hydroxy-7-phenylheptanoate;112665-42-6;7-Hydroxy-7-phenylheptanoic acid ethyl ester;Ethyl7-hydroxy-7-phenylheptanoate;ethyl 7-hydroxy-7-phenyl-heptanoate;SCHEMBL711239;DTXSID20568612;CBLRKMHGDTXYKT-UHFFFAOYSA-N

Chemical Property of Ethyl 7-hydroxy-7-phenylheptanoate

Chemical Property:

• PSA: 46.53000
• Density: 1.045
• LogP: 3.23360
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 250.15689456
• Heavy Atom Count: 18
• Complexity: 222

Purity/Quality:

Ethyl7-hydroxy-7-phenylheptanoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCCCCC(C1=CC=CC=C1)O

Technology Process of Ethyl 7-hydroxy-7-phenylheptanoate

There total 9 articles about Ethyl 7-hydroxy-7-phenylheptanoate 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: 91.0%

ethyl 6-iodohexanoate (13159-24-5) + benzaldehyde (100-52-7) → 7-hydroxy-7-phenyl-heptanoic acid ethyl ester (112665-42-6)

Guidance literature:

With chromium dichloride; cobalt(II) phthalocyanine; In N,N-dimethyl-formamide; at 30 ℃; for 5h;

DOI:10.1021/jo00281a004

Reference yield: 85.0%

benzaldehyde (100-52-7) + 6-<(4-methylbenzenesulfonyl)oxy>hexanoic acid, ethyl ester (122822-50-8) → 7-hydroxy-7-phenyl-heptanoic acid ethyl ester (112665-42-6)

Guidance literature:

With chromium dichloride; cyanocobalamin; In N,N-dimethyl-formamide; at 30 ℃; for 24h;

DOI:10.1021/jo00281a004

Reference yield:

ethyl 7-oxo-7-phenylheptanoate (112665-41-5) → 7-hydroxy-7-phenyl-heptanoic acid ethyl ester (112665-42-6)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 ℃; for 0.5h;

DOI:10.1021/jm00129a030

upstream raw materials:

ethyl 7-oxo-7-phenylheptanoate

ethyl 6-iodohexanoate

benzaldehyde

C₈H₁₅IO₂Zn

Downstream raw materials:

7-hydroxy-7-phenylheptanoic acid

ethyl 7-phenyl-7-(triisopropylsilyloxy)heptanoate

7-phenyl-7-(triisopropylsilyloxy)heptanoic acid

7-phenyl-1-(5-(pyridin-2-yl)oxazol-2-yl)-7-(triisopropylsilyloxy)heptan-1-one