3-ISOPROPOXYBENZOIC ACID

Base Information

• Chemical Name: 3-ISOPROPOXYBENZOIC ACID
• CAS No.: 60772-67-0
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• Hs Code.: 2918990090
• Mol file: 60772-67-0.mol

Synonyms:Benzoicacid, m-isopropoxy- (4CI);3-(1-Methylethoxy)benzoic acid;3-Isopropoxybenzoicacid;

Chemical Property of 3-ISOPROPOXYBENZOIC ACID

Chemical Property:

• Vapor Pressure: 0.000259mmHg at 25°C
• Melting Point: 96-97°C
• Refractive Index: 1.528
• Boiling Point: 310.4 °C at 760 mmHg
• PKA: pK1:4.15 (20°C)
• Flash Point: 121.9 °C
• PSA: 46.53000
• Density: 1.13 g/cm³
• LogP: 2.17200
• Storage Temp.: Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)

Purity/Quality:

98%min ^*data from raw suppliers

3-IsopropoxybenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-Isopropoxybenzoic acid is a useful reagent for organic synthesis and other chemical processes.

Technology Process of 3-ISOPROPOXYBENZOIC ACID

There total 7 articles about 3-ISOPROPOXYBENZOIC 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: 91.0%

methyl 3-isopropoxybenzoate (350989-42-3) → 3-(1-methylethoxy)benzoic acid (60772-67-0)

Guidance literature:

With potassium hydroxide; In tetrahydrofuran; methanol; water; for 5h; Reflux;

DOI:10.1021/acs.jmedchem.0c01564

Reference yield: 29.0%

2-iodo-propane (75-30-9) + 3-Carboxyphenol (99-06-9) → 3-(1-methylethoxy)benzoic acid (60772-67-0)

Guidance literature:

2-iodo-propane; 3-Carboxyphenol; With potassium hydroxide; In water; for 2h; Heating / reflux;

With hydrogenchloride; In water; pH=5;

Reference yield:

tetrachloromethane (56-23-5) + 3-hydroxybenzoic acid 1-methylethyl ester (53631-77-9) + boron trifluoride (7637-07-2) → 3-hydroxy-4-isopropyl-benzoic acid (19420-59-8) + 3-(1-methylethoxy)benzoic acid (60772-67-0) + 3-isopropoxy-benzoic acid isopropyl ester + 3-Carboxyphenol (99-06-9)

Guidance literature:

DOI:10.1021/ja01312a012

upstream raw materials:

isopropyl chloride

3-Carboxyphenol

tetrachloromethane

propene

Downstream raw materials:

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

N-[4-BROMO-2-(5-OXO-4, 5-DIHYDRO-1, 2,4-oxadiazol-3-yl) PHENYL]-3-isopropoxybenzamide

Refernces

• 1、 -. "S1P1 AGONIST AND APPLICATION THEREOF". Paragraph 0316; 0320-0322. . Retrieved 2021/10/02.
• 2、 -. "SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES". . . Retrieved 2008/06/13.