4-(4-Methoxybenzoyl)piperidine hydrochloride

Base Information

• Chemical Name: 4-(4-Methoxybenzoyl)piperidine hydrochloride
• CAS No.: 25519-82-8
• Molecular Formula: C13H17NO2.ClH
• Molecular Weight: 255.744
• Hs Code.: 2933399090
• European Community (EC) Number: 816-083-9
• DSSTox Substance ID: DTXSID10372381
• Mol file: 25519-82-8.mol

Synonyms:25519-82-8;4-(4-Methoxybenzoyl)piperidine hydrochloride;(4-methoxyphenyl)(4-piperidyl)methanone hydrochloride;(4-Methoxyphenyl)(piperidin-4-yl)methanone hydrochloride;4-(4-Methoxybenzoyl)-piperidine hydrochloride;(4-methoxyphenyl)-piperidin-4-ylmethanone;hydrochloride;Methanone, (4-methoxyphenyl)-4-piperidinyl-, hydrochloride;(4-Methoxyphenyl)(4-piperidyl)methanone, HCl;MFCD00114817;4-(4-METHOXYBENZOYL)PIPERIDINE HCL;4-(4-Methoxybenzoyl)piperidinehydrochloride;(4-Methoxy-phenyl)-piperidin-4-yl-methanone hydrochloride;SCHEMBL518416;DTXSID10372381;BBDTWYQCXXFKDH-UHFFFAOYSA-N;AKOS015849529;CS-W002379;SB36216;SS-4719;AC-25674;SY022090;AM20040036;FT-0604781;EN300-30360;A24550;Methanone,(4-methoxyphenyl)-4-piperidinyl-,HCl;J-501420;4-[(4-methoxyphenyl)carbonyl]piperidine hydrochloride;(4-Methoxyphenyl)(4-piperidyl)-methanone hydrochloride;(4-methoxyphenyl)(4-piperidyl)methanone hydrochloride, AldrichCPR;(4-Methoxyphenyl)(piperidin-4-yl)methanone--hydrogen chloride (1/1);(4-Methoxyphenyl)-(4-piperidyl)methanoneHCl

Chemical Property of 4-(4-Methoxybenzoyl)piperidine hydrochloride

Chemical Property:

• Vapor Pressure: 1.04E-05mmHg at 25°C
• Melting Point: 260-264°C
• Boiling Point: 371.3 °C at 760 mmHg
• Flash Point: 178.3 °C
• PSA: 38.33000
• LogP: 3.00830
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 255.1026065
• Heavy Atom Count: 17
• Complexity: 228

Purity/Quality:

98%min ^*data from raw suppliers

(4-Methoxyphenyl)(4-piperidyl)methanoneHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=O)C2CCNCC2.Cl

Technology Process of 4-(4-Methoxybenzoyl)piperidine hydrochloride

There total 5 articles about 4-(4-Methoxybenzoyl)piperidine hydrochloride 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: 96.0%

1-(4-(4-methoxybenzoyl)piperidin-1-yl)ethanone (25519-81-7) → (4-methoxy-phenyl)-piperidin-4-yl-methanone hydrochloride (25519-82-8)

Guidance literature:

With hydrogenchloride; In water; at 20 ℃; Reflux;

DOI:10.1021/acs.jmedchem.0c01118

Reference yield:

1-acetyl-piperidine-4-carboxylic acid (25503-90-6) → (4-methoxy-phenyl)-piperidin-4-yl-methanone hydrochloride (25519-82-8)

Guidance literature:

Multi-step reaction with 3 steps

1: thionyl chloride; N,N-dimethyl-formamide / 1,2-dichloro-ethane / 4 h / 0 - 60 °C

2: aluminum (III) chloride / 1,2-dichloro-ethane / 16 h / 0 - 65 °C

3: hydrogenchloride; water / tetrahydrofuran / 10 h / Reflux

With hydrogenchloride; aluminum (III) chloride; thionyl chloride; water; N,N-dimethyl-formamide; In tetrahydrofuran; 1,2-dichloro-ethane; 2: |Friedel-Crafts Acylation;

DOI:10.1016/j.bmcl.2015.09.072

Reference yield:

isonipecotic acid (498-94-2) → (4-methoxy-phenyl)-piperidin-4-yl-methanone hydrochloride (25519-82-8)

Guidance literature:

Multi-step reaction with 4 steps

1: pyridine / 2 h / 140 °C

2: thionyl chloride; N,N-dimethyl-formamide / 1,2-dichloro-ethane / 4 h / 0 - 60 °C

3: aluminum (III) chloride / 1,2-dichloro-ethane / 16 h / 0 - 65 °C

4: hydrogenchloride; water / tetrahydrofuran / 10 h / Reflux

With pyridine; hydrogenchloride; aluminum (III) chloride; thionyl chloride; water; N,N-dimethyl-formamide; In tetrahydrofuran; 1,2-dichloro-ethane; 3: |Friedel-Crafts Acylation;

DOI:10.1016/j.bmcl.2015.09.072

upstream raw materials:

1-(4-(4-methoxybenzoyl)piperidin-1-yl)ethanone

1-acetyl-piperidine-4-carboxylic acid

isonipecotic acid

1-acetylpiperidine-4-carbonyl chloride

Downstream raw materials:

4-(4-hydroxy)benzoylpiperidine

ethyl 2-(3-(4-(4-methoxybenzoyl)piperidin-1-yl)-2-oxopyrrolidin-1-yl)acetate

Refernces

• 1、 Li, Dongsheng,Gao, Nana,Zhu, Ningyu,Lin, Yuan,Li, Yan,Chen, Minghua,You, Xuefu,Lu, Yu,Wan, Kanglin,Jiang, Jian-Dong,Jiang, Wei,Si, Shuyi. "Discovery of the disubstituted oxazole analogues as a novel class anti-tuberculotic agents against MDR- and XDR-MTB". supporting information. p. 5178 - 5181. Retrieved 2015/11/09.