1-Methylpiperidine-4-carbaldehyde

Base Information

• Chemical Name: 1-Methylpiperidine-4-carbaldehyde
• CAS No.: 50675-21-3
• Molecular Formula: C7H13 N O
• Molecular Weight: 127.186
• Hs Code.: 2933399090
• European Community (EC) Number: 800-487-7
• DSSTox Substance ID: DTXSID30501636
• Wikidata: Q72495751
• Mol file: 50675-21-3.mol

Synonyms:1-methylpiperidine-4-carbaldehyde;50675-21-3;1-Methyl-piperidine-4-carbaldehyde;1-methylpiperidine-4-carboxaldehyde;1-Methyl-4-piperidinecarboxaldehyde;N-Methyl-Piperidine-4-carboxaldehyde;4-Piperidinecarboxaldehyde, 1-methyl-;1-Methylpiperidine-4-Formyl;SCHEMBL464560;1-methyl-4-piperidinecarbaldehyde;DTXSID30501636;LKIYWJKEOOFVCV-UHFFFAOYSA-N;l-methylpiperidine-4-carboxaldehyde;MFCD08060051;AKOS005207280;SB41380;AS-30564;AM20100244;CS-0099980;FT-0648970;EN300-64713;J-505008;Z372839344

Chemical Property of 1-Methylpiperidine-4-carbaldehyde

Chemical Property:

• Vapor Pressure: 1.286mmHg at 25°C
• Boiling Point: 173℃
• PKA: 8.61±0.10(Predicted)
• Flash Point: 53℃
• PSA: 20.31000
• Density: 1.024
• LogP: 0.46500
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 127.099714038
• Heavy Atom Count: 9
• Complexity: 95.1

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Methylpiperidine-4-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1CCC(CC1)C=O

Technology Process of 1-Methylpiperidine-4-carbaldehyde

There total 13 articles about 1-Methylpiperidine-4-carbaldehyde 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: 95.0%

1-Methyl-4-piperidone (1445-73-4) → N-methyl-piperidine-4-carboxaldehyde (50675-21-3)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at 0 - 25 ℃; for 0.5h;

1-Methyl-4-piperidone; In tetrahydrofuran; at 0 - 25 ℃; for 16h;

With hydrogenchloride; sodium hydroxide; more than 3 stages;

Reference yield: 86.8%

ethyl 1-methylisonipecotate (24252-37-7) → N-methyl-piperidine-4-carboxaldehyde (50675-21-3)

Guidance literature:

With diisobutylaluminium hydride; In hexane; water;

Reference yield: 70.0%

4-(1,3-dioxolan-2-yl)-1-methylpiperidine (112391-04-5) → N-methyl-piperidine-4-carboxaldehyde (50675-21-3)

Guidance literature:

With sulfuric acid; for 2h; Ambient temperature;

upstream raw materials:

N-methyl-3,4-didehydropiperidine

carbon monoxide

1-methyl-piperidine-4-carboxylic acid methyl ester

4-(1,3-dioxolan-2-yl)-1-methylpiperidine

Downstream raw materials:

1-methyl-4 (formylmethyl)piperidine

2-(2,5-dimethyl-benzylsulfanyl)-4-(1-methyl-piperidin-4-yl)-6-oxo-1,6-dihydro-pyrimidine-5-carbonitrile

C₂₄H₃₁N₅O₂

11-(γ-aminopropyl)-3-methyl-3,7,11-triazaspiro<5,6>dodecane

Refernces

• 1、 -. "SUBSTITUTED SULFONAMIDE COMPOUNDS". Page/Page column 66. . Retrieved 2008/12/06.
• 2、 -. "Anti-hypertensive piperidine compounds". . . Retrieved 2008/06/13.