12-(3-Iodophenyl)dodecanoic acid

Base Information

Chemical Name:12-(3-Iodophenyl)dodecanoic acid
CAS No.:121269-37-2
Molecular Formula:C18H27IO2
Molecular Weight:402.316
Hs Code.:
DSSTox Substance ID:DTXSID30561912
Wikidata:Q82445840

Synonyms:12-(3-IODOPHENYL)DODECANOIC ACID;121269-37-2;12-m-iodophenyldodecanoic acid;SCHEMBL8661713;DTXSID30561912;OEYYESYFOAZJAO-UHFFFAOYSA-N

Suppliers and Price of 12-(3-Iodophenyl)dodecanoic acid

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of 12-(3-Iodophenyl)dodecanoic acid

Chemical Property:

XLogP3:6.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:12
Exact Mass:402.10558
Heavy Atom Count:21
Complexity:268

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 12-(3-Iodophenyl)dodecanoic acid

There total 5 articles about 12-(3-Iodophenyl)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: 88.0%

: 121269-36-1
ethyl 12-(m-iodophenyl)dodecanoate

: 121269-37-2
12-(m-iodophenyl)dodecanoic acid

Guidance literature:: With potassium hydroxide; In ethanol; Heating;
DOI:10.1021/jm00129a020

Reference yield:

: 99-61-6
3-nitro-benzaldehyde

: 121269-37-2
12-(m-iodophenyl)dodecanoic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 60 percent / NaNH₂ / tetrahydrofuran / 4.5 h

2: 97.5 percent / H₂ / 5percent Pd/C / ethyl acetate / 4 h / 2327.2 Torr / Ambient temperature

3: 1) glacial acetic acid, conc. HCl, NaNO₂, 2) KI, I₂ / 1) H₂O, 40 min, 0 deg C, 2) overnight, r.t.

4: 88 percent / KOH / aq. ethanol / Heating

With hydrogenchloride; potassium hydroxide; hydrogen; iodine; sodium amide; acetic acid; potassium iodide; sodium nitrite; palladium on activated charcoal; In tetrahydrofuran; ethanol; ethyl acetate;
DOI:10.1021/jm00129a020

Reference yield:

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

: 121269-37-2
12-(m-iodophenyl)dodecanoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 97.5 percent / H₂ / 5percent Pd/C / ethyl acetate / 4 h / 2327.2 Torr / Ambient temperature

2: 1) glacial acetic acid, conc. HCl, NaNO₂, 2) KI, I₂ / 1) H₂O, 40 min, 0 deg C, 2) overnight, r.t.

3: 88 percent / KOH / aq. ethanol / Heating

With hydrogenchloride; potassium hydroxide; hydrogen; iodine; acetic acid; potassium iodide; sodium nitrite; palladium on activated charcoal; In ethanol; ethyl acetate;
DOI:10.1021/jm00129a020