1-Benzyl-3-methyl-4-piperidone

Base Information

• Chemical Name: 1-Benzyl-3-methyl-4-piperidone
• CAS No.: 34737-89-8
• Molecular Formula: C13H17 N O
• Molecular Weight: 203.284
• Hs Code.: 29333990
• European Community (EC) Number: 252-176-5
• DSSTox Substance ID: DTXSID90956224
• Nikkaji Number: J250.963F
• Mol file: 34737-89-8.mol

Synonyms:1-Benzyl-3-methylpiperidin-4-one;34737-89-8;1-Benzyl-3-methyl-4-piperidone;4-Piperidinone, 3-methyl-1-(phenylmethyl)-;1-benzyl-3-methyl-4-oxopiperidine;1-Benzyl-3-methyl-piperidin-4-one;MFCD00044806;1-Benzyl-3-methyl-4-piperidinone;EINECS 252-176-5;3-methyl-1-(phenylmethyl)-4-Piperidinone;4-Piperidone, 1-benzyl-3-methyl-;N-Benzyl-3-methyl-4-piperidone;ChemDiv2_002451;Oprea1_418023;SCHEMBL467266;AMY7027;DTXSID90956224;1-benzyl-3-methyl-piperidin-4one;1-benzyl-3-methyl-piperidin4-one;Benzyl-3- methyl-piperidin-4-one;HMS1375P09;1-benzyl-3-methyl-4-oxo-piperidine;STK666732;1-Benzyl-3-methyl-4-piperidinone #;AKOS000265065;AKOS016347373;DS-1749;FS-3315;PB30566;racemic 1-benzyl-3-methyl-4-piperidone;3-methyl-1-(phenylmethyl)-4-piperidone;AC-26225;SY012686;B4465;CS-0031424;FT-0607396;1-benzyl-3-methyltetrahydro-4(1H)-pyridinone;AB00079604-01;A822374;SR-01000533852;SR-01000533852-1;F1993-0029;1-Benzyl-3-Methyl-4-piperidone

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Chemical Property of 1-Benzyl-3-methyl-4-piperidone

Chemical Property:

• Appearance/Colour: clear slightly yellow to yellow liquid
• Vapor Pressure: 0.498mmHg at 25°C
• Refractive Index: 1.5315-1.5335
• Boiling Point: 314.9°Cat760mmHg
• PKA: 7.11±0.40(Predicted)
• Flash Point: 134.9°C
• PSA: 20.31000
• Density: 1.057g/cm³
• LogP: 2.03540
• Storage Temp.: Refrigerator
• Solubility.: Chloroform, Methanol
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 203.131014166
• Heavy Atom Count: 15
• Complexity: 221

Purity/Quality:

Safty Information:

• Hazard Codes: C
• Statements: 34-22
• Safety Statements: 45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN(CCC1=O)CC2=CC=CC=C2
• Uses: 1-Benzyl-3-methyl-4-piperidone is a piperidine derivative used in the preparation of Fentanyl (F274990) analogs with analgesic activity.

Technology Process of 1-Benzyl-3-methyl-4-piperidone

There total 15 articles about 1-Benzyl-3-methyl-4-piperidone 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: 80.0%

(R)-1-benzyl-3-methylpiperidin-4-one (2S,3S)-2,3-bis((4-methylbenzoyl)oxy)succinic acid salt → 1-Benzyl-3-methyl-4-piperidon (34737-89-8)

Guidance literature:

With sodium hydroxide; In water; at 0 - 40 ℃; for 6h; Large scale;

Reference yield: 75.0%

(S)-1-benzyl-3-methylpiperidin-4-one (2R,3R)-2,3-bis((4-methylbenzoyl)oxy)succinic acid salt → 1-Benzyl-3-methyl-4-piperidon (34737-89-8)

Guidance literature:

With sodium hydroxide; In water; at 0 - 40 ℃; for 6h; Large scale;

Reference yield: 71.0%

1-benzyl-N-methylpiperidin-4-amine (7006-50-0) + N-ethyl-N,N-diisopropylamine (7087-68-5) → 1-Benzyl-3-methyl-4-piperidon (34737-89-8)

Guidance literature:

In dichloromethane;

upstream raw materials:

1-phenylmethyl-4-piperidone

methyl iodide

1-benzyl-N-methylpiperidin-4-amine

N-ethyl-N,N-diisopropylamine

Downstream raw materials:

(+/-)-cis-1-benzyl-3-methyl-N-phenylpiperidinamine

(+/-)-trans-1-benzyl-3-methyl-N-phenylpiperidinamine

2-phenylmethyl-8a-methyl-1,3,4,7,8,8a-hexahydro-6(2H)-isoquinolinone

(R)-1-benzyl-3-methyl-3-(3-oxo-butyl)-piperidin-4-one