Ethyl 2-amino-5-iodobenzoate

Base Information

• Chemical Name: Ethyl 2-amino-5-iodobenzoate
• CAS No.: 268568-11-2
• Molecular Formula: C9H10INO2
• Molecular Weight: 291.088
• Hs Code.: 4002191900
• European Community (EC) Number: 608-010-2
• DSSTox Substance ID: DTXSID40475798
• Nikkaji Number: J1.255.770A
• Wikidata: Q72472422
• Mol file: 268568-11-2.mol

Synonyms:ETHYL 2-AMINO-5-IODOBENZOATE;268568-11-2;2-amino-5-iodobenzoic acid ethyl ester;MFCD04038940;Ethyl2-amino-5-iodobenzoate;SCHEMBL5621223;DTXSID40475798;FPCLHSGOJPEKKE-UHFFFAOYSA-N;AKOS009166841;PS-3399;SB82338;SY106802;A5269;FT-0655845;FT-0656328;D94744;EN300-879022;(S)-2-Amino-N-benzyl-3-(4-methoxyphenyl)propanamide

Chemical Property of Ethyl 2-amino-5-iodobenzoate

Chemical Property:

• Appearance/Colour: pale yellow crystalline powder
• Vapor Pressure: 5.23E-05mmHg at 25°C
• Melting Point: 69-71 °C
• Refractive Index: 1.629
• Boiling Point: 347.9 °C at 760 mmHg
• PKA: 1.86±0.10(Predicted)
• Flash Point: 164.2 °C
• PSA: 52.32000
• Density: 1.730 g/cm³
• LogP: 2.63130
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 290.97563
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

99.9% ^*data from raw suppliers

Ethyl2-Amino-5-iodobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 2-amino-5-iodobenzoate

There total 2 articles about Ethyl 2-amino-5-iodobenzoate 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: 90.0%

2-ethoxycarbonylaniline (87-25-2) → ethyl 2-amino-5-iodobenzoate (268568-11-2)

Guidance literature:

With iodine; silver sulfate; In ethanol; at 20 ℃; for 1h;

DOI:10.1016/j.tetlet.2005.06.173

Reference yield:

ethanol (64-17-5) + 2-amino-5-iodobenzoic acid (5326-47-6) → ethyl 2-amino-5-iodobenzoate (268568-11-2)

Guidance literature:

With hydrogenchloride; for 7h; Heating;

DOI:10.1016/S0960-894X(00)00048-2

Reference yield: 90.0%

ethyl 2-amino-5-iodobenzoate (268568-11-2) + trimethylsilylacetylene (1066-54-2) → 2-amino-5-trimethylsilanylethynyl-benzoic acid ethyl ester (870621-97-9)

Guidance literature:

With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In triethylamine; at 50 ℃; for 4h;

DOI:10.1016/j.tetlet.2005.06.173

upstream raw materials:

ethanol

2-amino-5-iodobenzoic acid

2-ethoxycarbonylaniline

Downstream raw materials:

2-(3-ethoxycarbonyl-propionylamino)-5-iodo-benzoic acid ethyl ester

2-amino-5-trimethylsilanylethynyl-benzoic acid ethyl ester

C₄₈H₆₄N₂O₈Si₂

3-(6-oxo-9-trifluromethyl-5,6,7,12-tetrahydro-indolo[3,2-d]benzazepin-2-yl)-propionitrile

Refernces

• 1、 Wu, Zong-Quan,Jiang, Xi-Kui,Li, Zhan-Ting. "Hydrogen bonding-mediated self-assembly of square and triangular metallocyclophanes". . p. 8067 - 8070. Retrieved 2007/10/03.