17-Iodoheptadecanoic acid

Base Information

• Chemical Name: 17-Iodoheptadecanoic acid
• CAS No.: 60451-92-5
• Molecular Formula: C₁₇H₃₃IO₂
• Molecular Weight: 396.352
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID30975858
• Wikidata: Q82960571
• Mol file: 60451-92-5.mol

Synonyms:17-iodoheptadecanoic acid;17-iodoheptadecanoic acid, 131I-labeled;heptadecanoic-17-(123)I acid;heptadecanoic-17-(131)I acid;iodoheptadecanoic acid

Chemical Property of 17-Iodoheptadecanoic acid

Chemical Property:

• Vapor Pressure: 2.11E-09mmHg at 25°C
• Melting Point: 82-84°C
• Refractive Index: 1.502
• Boiling Point: 451.3 °C at 760 mmHg
• Flash Point: 226.7 °C
• PSA: 37.30000
• Density: 1.228 g/cm³
• LogP: 6.35750
• XLogP3: 7.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 396.15253
• Heavy Atom Count: 20
• Complexity: 207

Purity/Quality:

98%Min ^*data from raw suppliers

17-Iodoheptadecanoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCCCCCCI)CCCCCCCC(=O)O

Technology Process of 17-Iodoheptadecanoic acid

There total 11 articles about 17-Iodoheptadecanoic 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:

1 ,6-dibromohexane (629-03-8) → 17-Iodheptadecansaeure (60451-92-5)

Guidance literature:

Multi-step reaction with 6 steps

1: NaOEt / ethanol; diethyl ether / 48 h / Ambient temperature

2: 48percent HBr / H₂O / 4 h / 120 - 150 °C

3: 54 percent / LiNH₂, Fe(NO₃)3 / tetrahydrofuran; NH₃ / 20 h

4: H₂ / PtO₂ / diethyl ether

5: pyridine / 0 °C

6: NaI / acetone / 2 h / Heating

With lithium amide; hydrogen bromide; hydrogen; sodium ethanolate; ferric nitrate; sodium iodide; platinum(IV) oxide; In tetrahydrofuran; pyridine; diethyl ether; ethanol; ammonia; water; acetone;

Reference yield:

7-bromoheptanoic acid (30515-28-7) → 17-Iodheptadecansaeure (60451-92-5)

Guidance literature:

Multi-step reaction with 7 steps

1: NH₃ / tetrahydrofuran / 15 h

2: diethyl ether

3: LiAlH₄ / diethyl ether / 2 h / 0 °C

4: 54 percent / LiNH₂, Fe(NO₃)3 / tetrahydrofuran; NH₃ / 20 h

5: H₂ / PtO₂ / diethyl ether

6: pyridine / 0 °C

7: NaI / acetone / 2 h / Heating

With lithium aluminium tetrahydride; lithium amide; ammonia; hydrogen; ferric nitrate; sodium iodide; platinum(IV) oxide; In tetrahydrofuran; pyridine; diethyl ether; ammonia; acetone;

Reference yield:

non-8-ynoic acid (30964-01-3) → 17-Iodheptadecansaeure (60451-92-5)

Guidance literature:

Multi-step reaction with 6 steps

1: diethyl ether

2: LiAlH₄ / diethyl ether / 2 h / 0 °C

3: 54 percent / LiNH₂, Fe(NO₃)3 / tetrahydrofuran; NH₃ / 20 h

4: H₂ / PtO₂ / diethyl ether

5: pyridine / 0 °C

6: NaI / acetone / 2 h / Heating

With lithium aluminium tetrahydride; lithium amide; hydrogen; ferric nitrate; sodium iodide; platinum(IV) oxide; In tetrahydrofuran; pyridine; diethyl ether; ammonia; acetone;

upstream raw materials:

17-(Toluene-4-sulfonyloxy)-heptadecanoic acid

1 ,6-dibromohexane

7-bromoheptanoic acid

non-8-ynoic acid

Downstream raw materials:

(E)-19-iodo-18-nonadecenoic acid

Refernces