Isopropoxy(phenyl)acetic acid

Base Information

• Chemical Name: Isopropoxy(phenyl)acetic acid
• CAS No.: 5394-87-6
• Molecular Formula: C₁₁H₁₄O₃
• Molecular Weight: 194.23
• Hs Code.: 2918990090
• Mol file: 5394-87-6.mol

Synonyms:NSC837

Chemical Property of Isopropoxy(phenyl)acetic acid

Chemical Property:

• Vapor Pressure: 0.000259mmHg at 25°C
• Melting Point: 54-57°C
• Boiling Point: 310.4°C at 760 mmHg
• PKA: 3.23±0.10(Predicted)
• Flash Point: 117.7°C
• PSA: 46.53000
• Density: 1.117g/cm³
• LogP: 2.23730
• Storage Temp.: Refrigerated.
• Solubility.: DMSO (Slightly), Methanol (Slightly)

Purity/Quality:

99% ^*data from raw suppliers

2-Isopropoxy-2-phenylaceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Isopropoxy(phenyl)acetic acid

There total 7 articles about Isopropoxy(phenyl)acetic 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: 30.0%

2-iodo-propane (75-30-9) + (R)-benzyl 2-hydroxy-2-phenyl-acetate (97415-09-3) → (R)-2-isopropoxy-2-phenylacetic acid (5394-87-6,121734-85-8,125535-01-5,125535-02-6)

Guidance literature:

2-iodo-propane; (R)-benzyl 2-hydroxy-2-phenyl-acetate; With silver(l) oxide; for 14.5h; Reflux; Inert atmosphere;

With lithium hydroxide monohydrate; In methanol; water; at 20 ℃; for 4h; Inert atmosphere;

Reference yield:

diethyl ether (60-29-7,927820-24-4) + tert-butylmagnesium chloride (677-22-5) + 2,2-dimethyl-5-phenyl-1,3-dioxolan-4-one (6337-34-4) → (rac)-phenyl(propan-2-yloxy)ethanoic acid (5394-87-6,125535-02-6) + isobutene (115-11-7,15220-85-6)

Guidance literature:

DOI:10.1021/ja01259a022

Reference yield:

methyl α-(isopropoxy)phenylacetate → (R)-2-isopropoxy-2-phenylacetic acid (5394-87-6,121734-85-8,125535-01-5,125535-02-6)

Guidance literature:

With water; lithium hydroxide; In methanol; at 20 ℃;

DOI:10.1021/acs.jmedchem.1c01913

upstream raw materials:

Chloro-phenyl-acetic acid

sodium isopropylate

diethyl ether

tert-butylmagnesium chloride

Downstream raw materials:

methyl α-isopropoxy-α-phenylacetate

Refernces

• 1、 -. "SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND". Paragraph 0957-0961. . Retrieved 2017/09/12.