Methylconiine

Base Information

• Chemical Name: Methylconiine
• CAS No.: 35305-13-6
• Deprecated CAS: 553-75-3
• Molecular Formula: C₉H₁₉N
• Molecular Weight: 141.257
• UNII: KO6UG4YXE1
• DSSTox Substance ID: DTXSID10896911
• Nikkaji Number: J2.771.709H
• Wikidata: Q27105204
• Metabolomics Workbench ID: 52792
• Mol file: 35305-13-6.mol

Synonyms:Methylconiine;(2S)-1-methyl-2-propylpiperidine;(+)-N-Methylconiine;35305-13-6;Piperidine, 1-methyl-2-propyl-, (S)-;KO6UG4YXE1;(S)-1-methyl-2-propylpiperidine;553-75-3;UNII-KO6UG4YXE1;METHYLCONIINE [MI];(+)-METHYLCONIINE;CHEBI:32;SCHEMBL3476022;DTXSID10896911;METHYLCONIINE D-FORM [MI];AKOS006277187;Piperidine, 1-methyl-2-propyl-, (2S)-;LS-115775;Q27105204

Chemical Property of Methylconiine

Chemical Property:

• Vapor Pressure: 1.26mmHg at 25°C
• Melting Point: 28°C (estimate)
• Refractive Index: 1.4538
• Boiling Point: 173.5°Cat760mmHg
• Flash Point: 52.5°C
• PSA: 3.24000
• Density: 0.823g/cm³
• LogP: 2.20870
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 141.151749610
• Heavy Atom Count: 10
• Complexity: 90.7

Purity/Quality:

99% ^*data from raw suppliers

N-METHYLCONIINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1CCCCN1C
• Isomeric SMILES: CCC[C@H]1CCCCN1C

Technology Process of Methylconiine

There total 9 articles about Methylconiine 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: 64.0%

1-(methoxycarbonyl)-2-propylpiperidine (92599-71-8,106375-73-9) → (+)-N-methylconiine (35305-13-6,553-75-3,92701-56-9)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 2h; Heating;

DOI:10.1021/jo00363a035

Reference yield:

6-methoxy-1-methoxycarbonylpipecolate (185385-20-0) → (+)-N-methylconiine (35305-13-6,553-75-3,92701-56-9)

Guidance literature:

Multi-step reaction with 6 steps

1: TiCl₄ / CH₂Cl₂ / 2.7 h / -70 - 20 °C

2: H₂ / 10percent Pd-C / methanol / 760 Torr / Ambient temperature

3: 361 mg / KOH / methanol; H₂O / 4 h / 0 - 20 °C

4: 282 mg / methanol / anodic decarboxylation

5: 215 mg / NaBH₄ / acetic acid / 8.5 h / Ambient temperature

6: 64 percent / LAH / diethyl ether / 2 h / Heating

With potassium hydroxide; sodium tetrahydroborate; lithium aluminium tetrahydride; hydrogen; titanium tetrachloride; palladium on activated charcoal; In methanol; diethyl ether; dichloromethane; water; acetic acid;

DOI:10.1021/jo00363a035

Reference yield:

(2S)-dimethyl 6-allylpiperidine-1,2-dicarboxylate → (+)-N-methylconiine (35305-13-6,553-75-3,92701-56-9)

Guidance literature:

Multi-step reaction with 5 steps

1: H₂ / 10percent Pd-C / methanol / 760 Torr / Ambient temperature

2: 361 mg / KOH / methanol; H₂O / 4 h / 0 - 20 °C

3: 282 mg / methanol / anodic decarboxylation

4: 215 mg / NaBH₄ / acetic acid / 8.5 h / Ambient temperature

5: 64 percent / LAH / diethyl ether / 2 h / Heating

With potassium hydroxide; sodium tetrahydroborate; lithium aluminium tetrahydride; hydrogen; palladium on activated charcoal; In methanol; diethyl ether; water; acetic acid;

DOI:10.1021/jo00363a035

upstream raw materials:

N-methylconiine

1-(methoxycarbonyl)-2-propylpiperidine

potassium methyl sulfate

formaldehyd

Refernces