12-(3-Amino-2,4,6-triiodophenyl)dodecanoic acid

Base Information

Chemical Name:12-(3-Amino-2,4,6-triiodophenyl)dodecanoic acid
CAS No.:102831-71-0
Molecular Formula:C18H26I3NO2
Molecular Weight:669.123
Hs Code.:
ChEMBL ID:CHEMBL48394
DSSTox Substance ID:DTXSID30568007
Wikidata:Q82454113
Mol file:102831-71-0.mol

Synonyms:12-(3-amino-2,4,6-triiodophenyl)dodecanoic acid;102831-71-0;CHEMBL48394;SCHEMBL9695548;DTXSID30568007;AGHLEOVTUQSYOC-UHFFFAOYSA-N;12-(3-amino-2,4,6-triiodophenyl)-dodecanoic acid

Suppliers and Price of 12-(3-Amino-2,4,6-triiodophenyl)dodecanoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 12-(3-Amino-2,4,6-triiodophenyl)dodecanoic acid

Chemical Property:

XLogP3:7.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:12
Exact Mass:668.9098
Heavy Atom Count:24
Complexity:357

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(C(=C(C(=C1I)N)I)CCCCCCCCCCCC(=O)O)I

Technology Process of 12-(3-Amino-2,4,6-triiodophenyl)dodecanoic acid

There total 4 articles about 12-(3-Amino-2,4,6-triiodophenyl)dodecanoic 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: 86.0%

: 102831-69-6
ethyl 12-(3-amino-2,4,6-triiodophenyl)dodecanoate

: 102831-71-0
ω-(3-amino-2,4,6-triiodophenyl)dodecanoic acid

Guidance literature:: With sodium hydroxide; In tetrahydrofuran; ethanol; for 3h; Heating;
DOI:10.1021/jm00159a019

Reference yield:

: 102831-65-2
ethyl 12-(3-nitrophenyl)-11-dodecenoate

: 102831-71-0
ω-(3-amino-2,4,6-triiodophenyl)dodecanoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 93 percent / H₂ / 5percent Pd/C / ethanol / 2 h / 2585.7 Torr / Ambient temperature

2: 69 percent / ICl, 8 N aq. HCl / CHCl₃ / 3 h / 70 °C

3: 86 percent / NaOH / tetrahydrofuran; ethanol / 3 h / Heating

With hydrogenchloride; sodium hydroxide; hydrogen; Iodine monochloride; palladium on activated charcoal; In tetrahydrofuran; ethanol; chloroform;
DOI:10.1021/jm00159a019

Reference yield:

: 102831-67-4
ethyl 12-(3-aminophenyl)dodecanoate

: 102831-71-0
ω-(3-amino-2,4,6-triiodophenyl)dodecanoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 69 percent / ICl, 8 N aq. HCl / CHCl₃ / 3 h / 70 °C

2: 86 percent / NaOH / tetrahydrofuran; ethanol / 3 h / Heating

With hydrogenchloride; sodium hydroxide; Iodine monochloride; In tetrahydrofuran; ethanol; chloroform;
DOI:10.1021/jm00159a019