Benzoic acid, 3-fluoro-4-hydroxy-, 1-propylbutyl ester

Base Information

Chemical Name:Benzoic acid, 3-fluoro-4-hydroxy-, 1-propylbutyl ester
CAS No.:356058-45-2
Molecular Formula:C₁₄H₁₉FO₃
Molecular Weight:254.301
Hs Code.:
DSSTox Substance ID:DTXSID401210884

Synonyms:SCHEMBL7122973;Benzoic acid, 3-fluoro-4-hydroxy-, 1-propylbutyl ester;DTXSID401210884;356058-45-2

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Chemical Property of Benzoic acid, 3-fluoro-4-hydroxy-, 1-propylbutyl ester

Chemical Property:

XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:254.13182263
Heavy Atom Count:18
Complexity:251

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCC(CCC)OC(=O)C1=CC(=C(C=C1)O)F

Technology Process of Benzoic acid, 3-fluoro-4-hydroxy-, 1-propylbutyl ester

There total 4 articles about Benzoic acid, 3-fluoro-4-hydroxy-, 1-propylbutyl ester 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:

: 4-benzyloxy-3-fluoro-benzoic acid 1-propyl-butyl ester

: 356058-45-2
1-propylbutyl 3-fluoro-4-hydroxybenzoate

Guidance literature:: With hydrogen; palladium on activated charcoal; In tetrahydrofuran;
DOI:10.1080/15421400490435224

Reference yield:

: 589-55-9
heptan-4-ol

: 356058-45-2
1-propylbutyl 3-fluoro-4-hydroxybenzoate

Guidance literature:: Multi-step reaction with 2 steps

1: pyridine; DMAP / toluene

2: H₂ / Pd/C / tetrahydrofuran

With pyridine; dmap; hydrogen; palladium on activated charcoal; In tetrahydrofuran; toluene;
DOI:10.1080/15421400490435224

Reference yield:

: 152552-64-2
4-(benzyloxy)-3-fluorobenzoic acid

: 356058-45-2
1-propylbutyl 3-fluoro-4-hydroxybenzoate

Guidance literature:: Multi-step reaction with 3 steps

1: (COCl)2; DMF / toluene

2: pyridine; DMAP / toluene

3: H₂ / Pd/C / tetrahydrofuran

With pyridine; dmap; oxalyl dichloride; hydrogen; N,N-dimethyl-formamide; palladium on activated charcoal; In tetrahydrofuran; toluene;
DOI:10.1080/15421400490435224