4-(1-Hydroxydecyl)-alpha-methyl-benzeneacetic acid

Base Information

• Chemical Name: 4-(1-Hydroxydecyl)-alpha-methyl-benzeneacetic acid
• CAS No.: 63476-34-6
• Molecular Formula: C19H30O3
• Molecular Weight: 306.445
• DSSTox Substance ID: DTXSID301026363

Synonyms:4-(1-Hydroxydecyl)-alpha-methyl-benzeneacetic acid;DTXSID301026363;63476-34-6

Chemical Property of 4-(1-Hydroxydecyl)-alpha-methyl-benzeneacetic acid

Chemical Property:

• XLogP3: 5.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 306.21949481
• Heavy Atom Count: 22
• Complexity: 295

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCC(C1=CC=C(C=C1)C(C)C(=O)O)O

Technology Process of 4-(1-Hydroxydecyl)-alpha-methyl-benzeneacetic acid

There total 1 articles about 4-(1-Hydroxydecyl)-alpha-methyl-benzeneacetic 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:

2-(4-formylphenyl)propanoic acid (43153-07-7) + nonylmagnesium iodide (53236-41-2) → 2-[4-(1-Hydroxy-decyl)-phenyl]-propionic acid (63476-34-6)

Guidance literature:

In diethyl ether; Heating;

Reference yield:

2-[4-(1-Hydroxy-decyl)-phenyl]-propionic acid (63476-34-6) → 2-[4-(6'-n.octyl:3'-oxo-1'-cyclohexenyl)-phenyl]-propionic acid (41387-24-0)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) CrO₃, Py, CH₂Cl₂, (ii) /BRN= 1718733/, H₂SO₄

2: (i) piperidine hydrochloride, (ii) /BRN= 385838/, Me₂SO₄, NaOEt, EtOH, (iii) Na₂CO₃, aq. EtOH

Reference yield:

ethanol (64-17-5) + 2-[4-(1-Hydroxy-decyl)-phenyl]-propionic acid (63476-34-6) → 2-(p-Decanoylphenyl)propionsaeureethylester (41441-61-6)

Guidance literature:

Multistep reaction; (i) CrO₃, Py, CH₂Cl₂, (ii) /BRN= 1718733/, H₂SO₄;

upstream raw materials:

2-(4-formylphenyl)propanoic acid

nonylmagnesium iodide

Downstream raw materials:

2-(p-Decanoylphenyl)propionsaeureethylester

2-[4-(6'-n.octyl:3'-oxo-1'-cyclohexenyl)-phenyl]-propionic acid

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