Methyl 4-(7-hydroxy-1-oxoheptyl)-2-iodobenzoate

Base Information

Chemical Name:Methyl 4-(7-hydroxy-1-oxoheptyl)-2-iodobenzoate
CAS No.:299173-26-5
Molecular Formula:C₁₅H₁₉IO₄
Molecular Weight:390.218
Hs Code.:
DSSTox Substance ID:DTXSID501243503

Synonyms:Methyl 4-(7-hydroxy-1-oxoheptyl)-2-iodobenzoate;DTXSID501243503;299173-26-5

Suppliers and Price of Methyl 4-(7-hydroxy-1-oxoheptyl)-2-iodobenzoate

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

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Chemical Property of Methyl 4-(7-hydroxy-1-oxoheptyl)-2-iodobenzoate

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:390.03281
Heavy Atom Count:20
Complexity:319

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C1=C(C=C(C=C1)C(=O)CCCCCCO)I

Technology Process of Methyl 4-(7-hydroxy-1-oxoheptyl)-2-iodobenzoate

There total 6 articles about Methyl 4-(7-hydroxy-1-oxoheptyl)-2-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: 88.1%

: 299173-19-6
methyl 2-iodo-4-(1-oxo-7-(2-tetrahydropyranyloxy)heptyl)benzoate

: 299173-26-5
methyl 2-iodo-4-(7-hydroxy-1-oxoheptyl)benzoate

Guidance literature:: With toluene-4-sulfonic acid; In methanol; at 20 ℃; for 21h;

Reference yield:

: 65785-44-6
6-iodohexanol, tetrahydropyranyl ether

: 299173-26-5
methyl 2-iodo-4-(7-hydroxy-1-oxoheptyl)benzoate

Guidance literature:: Multi-step reaction with 2 steps

1.1: Zn / tetrahydrofuran / 20 h / 40 °C

1.2: 38.5 percent / LiCl; CuCN / tetrahydrofuran / 3.33 h / 0 °C

2.1: 88.1 percent / p-TsOH*H₂O / methanol / 21 h / 20 °C

With toluene-4-sulfonic acid; zinc; In tetrahydrofuran; methanol; 1.1: Metallation / 1.2: Acylation / 2.1: Elimination;

Reference yield:

: 53963-10-3
2-[(6-bromohexyl)oxy]tetrahydro-2H-pyran

: 299173-26-5
methyl 2-iodo-4-(7-hydroxy-1-oxoheptyl)benzoate

Guidance literature:: Multi-step reaction with 3 steps

1.1: 100 percent / NaI / acetone / 20 h / Heating

2.1: Zn / tetrahydrofuran / 20 h / 40 °C

2.2: 38.5 percent / LiCl; CuCN / tetrahydrofuran / 3.33 h / 0 °C

3.1: 88.1 percent / p-TsOH*H₂O / methanol / 21 h / 20 °C

With toluene-4-sulfonic acid; sodium iodide; zinc; In tetrahydrofuran; methanol; acetone; 1.1: Iodination / 2.1: Metallation / 2.2: Acylation / 3.1: Elimination;