(R)-1-Benzoyl-3-methylpiperazine

Base Information

• Chemical Name: (R)-1-Benzoyl-3-methylpiperazine
• CAS No.: 357263-39-9
• Molecular Formula: C12H16 N2 O
• Molecular Weight: 204.272
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID50428836
• Nikkaji Number: J2.206.080E
• Wikidata: Q82241669
• Mol file: 357263-39-9.mol

Synonyms:357263-39-9;(R)-(3-methylpiperazin-1-yl)(phenyl)methanone;(R)-1-Benzoyl-3-methylpiperazine;(R)-2-Methyl-4-benzoylpiperazine;[(3R)-3-methylpiperazin-1-yl]-phenylmethanone;(3R)-1-Benzoyl-3-methylpiperazine;(3R)-(3-methyl-piperazin-1-yl)-phenyl-methanone;SCHEMBL1090204;DTXSID50428836;BCXBBYDLRSJZTE-SNVBAGLBSA-N;(R)-3-methyl-N-benzoylpiperazine;(R)-N-benzoyl-3-methylpiperazine;1-benzoyl-3-(R)-methylpiperazine;CS-M1202;1-benzoyl-3-(R)- methylpiperazine;1-benzoyl-3-(R)-methyl piperazine;3-(R)-methyl-1-benzoyl piperazine;MFCD07368011;1-benzoyl-3-(R)- methyl piperazine;AKOS015961645;AC-14501;AS-39911;EN300-399346;((R)-3-Methyl-piperazin-1-yl)-phenyl-methanone

Chemical Property of (R)-1-Benzoyl-3-methylpiperazine

Chemical Property:

• Vapor Pressure: 6.2E-05mmHg at 25°C
• Refractive Index: 1.539
• Boiling Point: 345.3°Cat760mmHg
• Flash Point: 162.6°C
• PSA: 32.34000
• Density: 1.071g/cm³
• LogP: 1.38720
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 204.126263138
• Heavy Atom Count: 15
• Complexity: 224

Purity/Quality:

98%min ^*data from raw suppliers

(R)-2-Methyl-4-benzoylpiperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN(CCN1)C(=O)C2=CC=CC=C2
• Isomeric SMILES: C[C@@H]1CN(CCN1)C(=O)C2=CC=CC=C2

Technology Process of (R)-1-Benzoyl-3-methylpiperazine

There total 3 articles about (R)-1-Benzoyl-3-methylpiperazine 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: 74.0%

benzoic acid methyl ester (93-58-3,5705-52-2,80226-58-0) + (2R)-methylpiperazine (75336-86-6) → 1-benzoyl-3-(R)-methylpiperazine (357263-39-9)

Guidance literature:

With Et₂AlCl₃; In hexane; dichloromethane; at 20 ℃; for 48h;

DOI:10.1039/b415159c

Reference yield: 54.0%

(2R)-methylpiperazine (75336-86-6) + benzoyl chloride (98-88-4) → 1-benzoyl-3-(R)-methylpiperazine (357263-39-9)

Guidance literature:

With sodium hydrogencarbonate; In water; acetone; at 20 ℃; for 17h;

Reference yield:

(R)-3-methyl-N-benzoylpiperazine hydrochloride (474010-60-1) → 1-benzoyl-3-(R)-methylpiperazine (357263-39-9)

Guidance literature:

With potassium carbonate; In water; ethyl acetate; pH=9 - 10; Product distribution / selectivity;

upstream raw materials:

benzoic acid methyl ester

(2R)-methylpiperazine

(R)-3-methyl-N-benzoylpiperazine hydrochloride

benzoyl chloride

Downstream raw materials:

1-(benzoyl)-4-[(indazol-3-yl)-2-oxoacetyl]-piperazine

(R)-1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione

1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-bromo-propan-1-one

(2S)-1-[(2R)-4-Benzoyl-2-methyl-piperazin-1-yl]-2-(quinolin-5-yloxy)-propan-1-one

Refernces

• 1、 -. "Phthalazine compounds, compositions and methods of use". Page/Page column 32. . Retrieved 2009/03/07.
• 2、 Wang, Jingsong,Le, Nhut,Heredia, Alonso,Song, Haijing,Redfield, Robert,Wang, Lai-Xi. "Modification and structure-activity relationship of a small molecule HIV-1 inhibitor targeting the viral envelope glycoprotein gp120". . p. 1781 - 1786. Retrieved 2007/10/03.