2,2-Dimethyl-3-(4-methylpiperidin-1-yl)propanal

Base Information

• Chemical Name: 2,2-Dimethyl-3-(4-methylpiperidin-1-yl)propanal
• CAS No.: 690632-29-2
• Molecular Formula: C₁₁H₂₁NO
• Molecular Weight: 183.294
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID30383338
• Wikidata: Q82175012
• Mol file: 690632-29-2.mol

Synonyms:690632-29-2;2,2-dimethyl-3-(4-methylpiperidin-1-yl)propanal;2,2-Dimethyl-3-(4-methyl-piperidin-1-yl)-propionaldehyde;2,2-dimethyl-3-(4-methylpiperidino)propanal;starbld0019064;2,2-Dimethyl-3-(4-methyl piperidino)propanal;DTXSID30383338;MFCD05022484;STK499952;AKOS000302511;LS-01964;FT-0691335

Chemical Property of 2,2-Dimethyl-3-(4-methylpiperidin-1-yl)propanal

Chemical Property:

• Vapor Pressure: 0.0199mmHg at 25°C
• Refractive Index: 1.454
• Boiling Point: 64 °C
• Flash Point: 76.7°C
• PSA: 20.31000
• Density: 0.907g/cm³
• LogP: 1.88130
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 183.162314293
• Heavy Atom Count: 13
• Complexity: 169

Purity/Quality:

97% ^*data from raw suppliers

2,2-Dimethyl-3-(4-methyl-piperidin-1-yl)-propionaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CC1CCN(CC1)CC(C)(C)C=O

Technology Process of 2,2-Dimethyl-3-(4-methylpiperidin-1-yl)propanal

There total 1 articles about 2,2-Dimethyl-3-(4-methylpiperidin-1-yl)propanal 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:

4-methylpiperidin (626-58-4) + isobutyraldehyde (78-84-2) → (4-methyl-piperidino)-pivalaldehyde (690632-29-2)

Guidance literature:

With hydrogenchloride; formaldehyd;

DOI:10.1021/ja01216a051

Reference yield:

(4-methyl-piperidino)-pivalaldehyde (690632-29-2) → 1-benzoyloxy-2,2-dimethyl-3-(4-methyl-piperidino)-propane; hydrochloride (67114-22-1)

Guidance literature:

Multi-step reaction with 2 steps

1: isopropyl alcohol / Entfernen des enstehenden Acetons

2: benzene

With isopropyl alcohol; benzene;

DOI:10.1021/ja01216a051

Reference yield:

(4-methyl-piperidino)-pivalaldehyde (690632-29-2) → 4-butoxy-benzoic acid-[2,2-dimethyl-3-(4-methyl-piperidino)-propylester]; hydrochloride (67032-38-6)

Guidance literature:

Multi-step reaction with 2 steps

1: isopropyl alcohol / Entfernen des enstehenden Acetons

2: benzene

With isopropyl alcohol; benzene;

DOI:10.1021/ja01216a051

upstream raw materials:

4-methylpiperidin

isobutyraldehyde

Downstream raw materials:

1-benzoyloxy-2,2-dimethyl-3-(4-methyl-piperidino)-propane; hydrochloride

4-butoxy-benzoic acid-[2,2-dimethyl-3-(4-methyl-piperidino)-propylester]; hydrochloride