3-TERT-BUTOXYBENZOIC ACID

Base Information

• Chemical Name: 3-TERT-BUTOXYBENZOIC ACID
• CAS No.: 15360-02-8
• Molecular Formula: C11H14O3
• Molecular Weight: 194.23
• Hs Code.: 2918990090
• Mol file: 15360-02-8.mol

Synonyms:3-tert-Butoxybenzoic Acid;

Chemical Property of 3-TERT-BUTOXYBENZOIC ACID

Chemical Property:

• Boiling Point: 317.0±15.0 °C(Predicted)
• PKA: 4.06±0.10(Predicted)
• PSA: 46.53000
• Density: 1.106±0.06 g/cm3(Predicted)
• LogP: 2.56210
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98%min ^*data from raw suppliers

3-tert-ButoxybenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-tert-Butoxybenzoic Acid, is an organic building block used for the preparation of orally efficacious benzothiazole amides as TRPV1 antagonists.

Technology Process of 3-TERT-BUTOXYBENZOIC ACID

There total 2 articles about 3-TERT-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: 92.0%

ethyl 3-(t-butoxy)benzoate → 3-tert-butoxybenzoic acid (15360-02-8)

Guidance literature:

ethyl 3-(t-butoxy)benzoate; With lithium hydroxide; In ethanol; water;

With hydrogenchloride; In ethanol; water; pH=2;

DOI:10.1021/jm1000248

Reference yield:

tert-butyl 3-methylphenyl ether (15359-97-4) → 3-tert-butoxybenzoic acid (15360-02-8)

Guidance literature:

Multistep reaction; (i) KMnO₄, H₂O, (ii) H₂SO₄;

Reference yield: 65.0%

3-tert-butoxybenzoic acid (15360-02-8) + methyllithium (917-54-4) → 3-(t-butoxy)acetophenone (99376-84-8)

Guidance literature:

3-tert-butoxybenzoic acid; methyllithium; In tetrahydrofuran; toluene; at -78 - 23 ℃;

With water; ammonium chloride; In tetrahydrofuran; toluene;

DOI:10.1021/jm1000248

upstream raw materials:

tert-butyl 3-methylphenyl ether

Downstream raw materials:

(3-tert-butoxyphenyl)methanol

3-t-butoxybenzaldehyde

3-tert-butoxy-N-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]benzamide

3-(t-butoxy)acetophenone

Refernces