3-Iodophenylacetic acid

Base Information

• Chemical Name: 3-Iodophenylacetic acid
• CAS No.: 1878-69-9
• Molecular Formula: C8H7 I O2
• Molecular Weight: 262.047
• Hs Code.: 29163990
• European Community (EC) Number: 626-345-2
• DSSTox Substance ID: DTXSID50397634
• Nikkaji Number: J135.735B
• Wikidata: Q72484320
• Mol file: 1878-69-9.mol

Synonyms:3-Iodophenylacetic acid;1878-69-9;2-(3-Iodophenyl)acetic acid;(3-Iodophenyl)acetic acid;Benzeneacetic acid, 3-iodo-;MFCD00046548;m-IODOPHENYLACETIC ACID;m-Iodobenzeneacetic acid;3-Iodobenzeneacetic acid;3-iodo-phenylacetic acid;3-iodophenyl acetic acid;2-(3-Iodophenyl)aceticacid;(3-Iodo-phenyl)-acetic acid;3-Iodophenylacetic acid, 95%;SCHEMBL1052818;DTXSID50397634;MRSWWBAFGGGWRH-UHFFFAOYSA-N;BBL101343;CK2077;STL555139;AKOS005258837;AC-4196;AM84177;CS-W008629;DS-14802;SY032267;BB 0249005;FT-0615909;I0760;A21824;EN300-103230;AE-562/43460505;J-012091;Z1269113140

Chemical Property of 3-Iodophenylacetic acid

Chemical Property:

• Vapor Pressure: 2.07E-05mmHg at 25°C
• Melting Point: 127-131 ºC
• Boiling Point: 347.2°Cat760mmHg
• PKA: pK1:4.159 (25°C)
• Flash Point: 163.8°C
• PSA: 37.30000
• Density: 1.885g/cm³
• LogP: 1.91830
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Light Sensitive
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 261.94908
• Heavy Atom Count: 11
• Complexity: 147

Purity/Quality:

99%, ^*data from raw suppliers

3-Iodophenylacetic Acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)I)CC(=O)O

Technology Process of 3-Iodophenylacetic acid

There total 4 articles about 3-Iodophenylacetic 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: 95.0%

carbon monoxide (201230-82-2) + m-Iodobenzyl bromide (49617-83-6) → 3-iodophenylacetic acid (1878-69-9)

Guidance literature:

With chloro(1,5-cyclooctadiene)rhodium(I) dimer; potassium iodide; In formic acid; at 60 ℃; for 18h; under 760 Torr;

DOI:10.1016/S0040-4039(00)01327-7

Reference yield: 89.0%

3-amino phenylacetic acid (14338-36-4) → 3-iodophenylacetic acid (1878-69-9)

Guidance literature:

3-amino phenylacetic acid; With hydrogenchloride; sulfuric acid; sodium nitrite; at 0 ℃; for 0.5h;

With potassium iodide; at 0 ℃; for 5h;

DOI:10.1021/jm050257d

Reference yield: 83.0%

(3-iodophenyl)acetonitrile (130723-54-5) → 3-iodophenylacetic acid (1878-69-9)

Guidance literature:

With sodium hydroxide; In water; for 4h; Heating / reflux;

upstream raw materials:

m-Iodobenzyl bromide

carbon monoxide

3-amino phenylacetic acid

(3-iodophenyl)acetonitrile

Downstream raw materials:

<3-(3-methoxy-3-oxo-1-propenyl)phenyl>acetic acid

C₁₂H₉IN₂O

C₁₅H₁₇IN₄

C₁₆H₁₈IN₅

Refernces

• 1、 -. "Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them". Page/Page column 19. . Retrieved 2010/11/30.