3-Amino-5-iodobenzoic acid

Base Information

• Chemical Name: 3-Amino-5-iodobenzoic acid
• CAS No.: 102153-73-1
• Molecular Formula: C7H6 I N O2
• Molecular Weight: 263.035
• Hs Code.: 2922499990
• European Community (EC) Number: 863-220-3
• DSSTox Substance ID: DTXSID10468495
• Nikkaji Number: J36.228J
• Wikidata: Q82295709
• Mol file: 102153-73-1.mol

Synonyms:3-AMINO-5-IODOBENZOIC ACID;102153-73-1;3-Amino-5-iodorobenzoic acid;5-amino-3-iodobenzoic acid;Benzoic acid, 3-amino-5-iodo-;3-AMINO-5-IODOBENZOICACID;SCHEMBL10799482;DTXSID10468495;CEA15373;AKOS012322173;AB02789;CS-0234905;FT-0750391;EN300-149611;Z1079174574

Chemical Property of 3-Amino-5-iodobenzoic acid

Chemical Property:

• PSA: 63.32000
• LogP: 2.15280
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 262.94433
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

97% ^*data from raw suppliers

3-Amino-5-iodorobenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1N)I)C(=O)O

Technology Process of 3-Amino-5-iodobenzoic acid

There total 2 articles about 3-Amino-5-iodobenzoic 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: 88.0%

3-iodo-5-nitro-benzoic acid (6313-17-3) → 3-amino-5-iodobenzoic acid (102153-73-1)

Guidance literature:

With ammonium iron (II) sulfate; ammonium hydroxide; for 0.166667h; Heating;

DOI:10.1021/ja034563x

Reference yield:

3-amino-5-nitro-benzoic acid (618-84-8) → 3-amino-5-iodobenzoic acid (102153-73-1)

Guidance literature:

Multi-step reaction with 2 steps

1: Diazotization_.Behandeln der Diazoverbindung mit KI

2: ferrosulfate; ammonia

With ammonia; iron(II) sulfate;

Reference yield: 94.0%

3-amino-5-iodobenzoic acid (102153-73-1) + N-Boc-1,3-diaminopropane (75178-96-0) → C15H22IN3O3 (1192350-93-8)

Guidance literature:

With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; triethylamine; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1002/chem.200900546

upstream raw materials:

3-iodo-5-nitro-benzoic acid

3-amino-5-nitro-benzoic acid

Downstream raw materials:

3,5-diiodobenzoic acid

3-[(tert-butoxycarbonyl)amino]-5-iodobenzoic acid

5-tert-butoxycarbonylamino-3'-[(5-tert-butoxycarbonylamino-3'-nitrobiphenyl-3-carbonyl)amino]biphenyl-3-carboxylic acid 2-trimethylsilanylethyl ester

(S)-3-amino-5-iodo-N-(1-phenylethyl)benzamide

Refernces

• 1、 Choi, Kihang,Hamilton, Andrew D.. "Rigid macrocyclic triamides as anion receptors: Anion-dependent binding stoichiometries and 1H chemical shift changes". . p. 10241 - 10249. Retrieved 2007/10/03.