3-(2-iodophenyl)propanoic Acid

Base Information

• Chemical Name: 3-(2-iodophenyl)propanoic Acid
• CAS No.: 96606-95-0
• Molecular Formula: C9H9IO2
• Molecular Weight: 276.074
• Hs Code.: 2918999090
• European Community (EC) Number: 688-559-2
• DSSTox Substance ID: DTXSID50371515
• Nikkaji Number: J3.176.075E
• Wikidata: Q72484423
• Mol file: 96606-95-0.mol

Synonyms:3-(2-iodophenyl)propanoic Acid;96606-95-0;3-(2-IODOPHENYL)PROPIONIC ACID;Benzenepropanoic acid, 2-iodo-;MFCD00040789;2-Iodo-benzenepropanoic acid;3-(2-Iodophenyl)propanoicacid;2-iodobenzenepropionic acid;SCHEMBL4336097;DTXSID50371515;3-(2'-Iodophenyl)propionic acid;POJTZKMVSQVKNR-UHFFFAOYSA-N;2-IODOBENZENEPROPANOIC ACID;3-(2-Iodo-phenyl)-propionic acid;WDA60695;3-(2-IODOPHENYL)PROPIONICACID;AKOS005216849;DS-5647;MB00406;3-(2-Iodophenyl)propionic acid, 97%;s10171;SY238889;CS-0156655;FT-0655550;A845618;3-(2-Iodophenyl)propionic acid;3-(2-Iodophenyl)propanoic acid

Chemical Property of 3-(2-iodophenyl)propanoic Acid

Chemical Property:

• Vapor Pressure: 1.23E-05mmHg at 25°C
• Melting Point: 86-88 °C
• Refractive Index: 1.624
• Boiling Point: 354.4 °C at 760 mmHg
• Flash Point: 168.2 °C
• PSA: 37.30000
• Density: 1.775 g/cm³
• LogP: 2.30840
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 275.96473
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

98% ^*data from raw suppliers

3-(2-Iodophenyl)propanoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-37/38-41-52/53
• Safety Statements: 26-39-61

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(2-iodophenyl)propanoic Acid

There total 16 articles about 3-(2-iodophenyl)propanoic 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: 100.0%

3-(2-iodophenyl)propanenitrile (128823-38-1) → 3-(2-iodophenyl)propanoic acid (96606-95-0)

Guidance literature:

With potassium hydroxide; In methanol; water; Heating;

DOI:10.1021/jo0262006

Reference yield: 90.0%

diethyl (2-iodobenzyl)malonate (111373-31-0) → 3-(2-iodophenyl)propanoic acid (96606-95-0)

Guidance literature:

DOI:10.1021/jo980516p

Reference yield: 86.0%

methyl 3-(2-iodophenyl)propanoate (141273-91-8) → 3-(2-iodophenyl)propanoic acid (96606-95-0)

Guidance literature:

methyl 3-(2-iodophenyl)propanoate; With sodium hydroxide; In ethanol; water; for 2h; Reflux;

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

DOI:10.1055/s-0031-1290384

upstream raw materials:

(E)-3-(2-Iodophenyl)propenoic acid

3-(2-iodophenyl)propanenitrile

diethyl (2-iodobenzyl)malonate

cycl-isopropylidene malonate

Downstream raw materials:

3-(2-iodophenyl)-1-propanol

C₁₄H₁₄O₃

tert-butyl 3-(2-(3-hydroxybut-1-ynyl)phenyl)propanoate

tert-butyl 3-(2-(3-oxobut-1-ynyl)phenyl)propanoate