2-fluoro-4-pentylBenzoic acid

Base Information

Chemical Name:2-fluoro-4-pentylBenzoic acid
CAS No.:123843-53-8
Molecular Formula:C12H15FO2
Molecular Weight:210.248
Hs Code.:
DSSTox Substance ID:DTXSID10597350
Wikidata:Q82492884
Mol file:123843-53-8.mol

Synonyms:2-fluoro-4-pentylBenzoic acid;123843-53-8;SCHEMBL9238571;DTXSID10597350;MBKLYSRTBPOBGZ-UHFFFAOYSA-N;DB-062188

Suppliers and Price of 2-fluoro-4-pentylBenzoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of 2-fluoro-4-pentylBenzoic acid

Chemical Property:

XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:210.10560788
Heavy Atom Count:15
Complexity:206

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCC1=CC(=C(C=C1)C(=O)O)F

Technology Process of 2-fluoro-4-pentylBenzoic acid

There total 5 articles about 2-fluoro-4-pentylBenzoic acid 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: 70.0%

: 123843-61-8
2-fluoro-4-pentylbenzonitrile

: 123843-53-8
2-fluoro-4-pentylbenzoic acid

Guidance literature:: With sulfuric acid; In water; acetic acid; for 48h; Heating;

Reference yield:

: 348-54-9
2-Fluoroaniline

: 123843-53-8
2-fluoro-4-pentylbenzoic acid

Guidance literature:: Multi-step reaction with 5 steps

1: 70 percent / N-bromosuccinimide / CH₂Cl₂ / 45 h / 0 °C

2: 76 percent / 1.) cc. sulphuric acid, sodium nitrite, 2.) copper(II) sulphate pentahydrate, sodium hydrogen carbonate / H₂O; acetic acid; cyclohexane / 1.) -5 deg C, 15 min; 2.) 50 deg C

3: 94 percent / n-butyllithium, zinc chloride, tetrakis(triphenylphosphine)palladium⁽⁰⁾ / hexane; tetrahydrofuran / 20 h / Ambient temperature

4: 95 percent / H₂ / 5percent palladium-on-charcoal / ethanol / 8 h

5: 70 percent / cc. sulphuric acid / H₂O; acetic acid / 48 h / Heating

With N-Bromosuccinimide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; n-butyllithium; sulfuric acid; hydrogen; sodium hydrogencarbonate; copper(II) sulfate; zinc(II) chloride; sodium nitrite; palladium on activated charcoal; In tetrahydrofuran; ethanol; hexane; dichloromethane; cyclohexane; water; acetic acid;

Reference yield:

: 367-24-8
4-bromo-2-fluoroaniline

: 123843-53-8
2-fluoro-4-pentylbenzoic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 76 percent / 1.) cc. sulphuric acid, sodium nitrite, 2.) copper(II) sulphate pentahydrate, sodium hydrogen carbonate / H₂O; acetic acid; cyclohexane / 1.) -5 deg C, 15 min; 2.) 50 deg C

2: 94 percent / n-butyllithium, zinc chloride, tetrakis(triphenylphosphine)palladium⁽⁰⁾ / hexane; tetrahydrofuran / 20 h / Ambient temperature

3: 95 percent / H₂ / 5percent palladium-on-charcoal / ethanol / 8 h

4: 70 percent / cc. sulphuric acid / H₂O; acetic acid / 48 h / Heating

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; n-butyllithium; sulfuric acid; hydrogen; sodium hydrogencarbonate; copper(II) sulfate; zinc(II) chloride; sodium nitrite; palladium on activated charcoal; In tetrahydrofuran; ethanol; hexane; cyclohexane; water; acetic acid;