4-Sec-butoxybenzoic acid

Base Information

• Chemical Name: 4-Sec-butoxybenzoic acid
• CAS No.: 104097-41-8
• Molecular Formula: C11H14O3
• Molecular Weight: 194.23
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID30408631
• Nikkaji Number: J2.324.598A
• Mol file: 104097-41-8.mol

Synonyms:4-sec-butoxybenzoic acid;104097-41-8;4-(sec-butoxy)benzoic acid;4-butan-2-yloxybenzoic Acid;4-(butan-2-yloxy)benzoic acid;4-sec-Butoxy-benzoic acid;4-sec-butoxybenzoicacid;4-(s-butoxy) benzoic acid;SCHEMBL948362;DTXSID30408631;MFCD01333527;AKOS000109257;AKOS016036799;VS-01163;BB 0245710;CS-0217792;EN300-85044;Z57243688

Chemical Property of 4-Sec-butoxybenzoic acid

Chemical Property:

• PSA: 46.53000
• LogP: 2.56210
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 183

Purity/Quality:

98%min ^*data from raw suppliers

4-sec-ButoxybenzoicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Sec-butoxybenzoic acid

There total 3 articles about 4-Sec-butoxybenzoic 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:

Ethyl 4-hydroxybenzoate (120-47-8) + s-butyl bromide (78-76-2,5787-31-5) → 4-sec-butoxy-benzoic acid (104097-41-8)

Guidance literature:

With ethanol; sodium ethanolate; Erwaermen des Reaktionsprodukts mit wss. Natronlauge;

DOI:10.1021/ja01266a020

Reference yield:

s-butyl bromide (78-76-2,5787-31-5) + methyl 4-hydroxylbenzoate (99-76-3,156291-94-0) → 4-sec-butoxy-benzoic acid (104097-41-8)

Guidance literature:

With methanol; sodium methylate; Erwaermen des Reaktionsprodukts mit wss. Natronlauge;

DOI:10.1021/ja01216a051

Reference yield:

→ 4-sec-butoxy-benzoic acid (104097-41-8)

Guidance literature:

entspr. Mg-Halogenid, Carbamoylchlorid, NaOH, H⁺;

upstream raw materials:

Ethyl 4-hydroxybenzoate

s-butyl bromide

methyl 4-hydroxylbenzoate

Downstream raw materials:

2-[4-(4-sec-butoxybenzamido)benzyl]benzothiazole

5-(5-{4-[(1-methylpropyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)isoquinoline