159974-63-7,MFCD06656931
Catalog No.:AA001RHJ

159974-63-7 | Methyl 2-(piperazin-1-yl)benzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$54.00   $38.00
- +
1g
95%
in stock  
$131.00   $92.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA001RHJ
Chemical Name:
Methyl 2-(piperazin-1-yl)benzoate
CAS Number:
159974-63-7
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD06656931
SMILES:
COC(=O)c1ccccc1N1CCNCC1
Properties
Computed Properties
 
Complexity:
239  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.2  

Upstream Synthesis Route

[1]Patent:WO2010/126851,2010,A1,.Locationinpatent:Page/Pagecolumn86

[2]Patent:WO2010/126811,2010,A1,.Locationinpatent:Page/Pagecolumn142-143

[1]Patent:US6218390,2001,B1,

[1]Patent:US6159990,2000,A,

[1]TetrahedronLetters,1994,vol.35,#40,p.7331-7334

Downstream Synthesis Route

[1]TetrahedronLetters,1994,vol.35,p.7331-7334

159974-63-7    200052-52-4   
6-(3,4-Difluoro-phenyl)-1-{5-4-(2-methoxycarbonyl-phenyl)-piperazin-1-yl-pentyl}-2,4-dimethyl-1,6-dihydro-pyrimidine-5-carboxylicacidmethylester 

[1]JournalofMedicinalChemistry,1999,vol.42,p.4804-4813

159974-63-7    200051-89-4   
4-(3,4-difluoro-phenyl)-3-{3-4-(2-methoxycarbonyl-phenyl)-piperazin-1-yl-propylcarbamoyl}-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylicacidmethylester 

[1]JournalofMedicinalChemistry,1999,vol.42,p.4794-4803

5-(4-chloro-phenyl)-2<i>H</i>-pyrazol-3-yl-carbamicacidphenylester 
  159974-63-7   
2-{4-5-(4-chloro-phenyl)-2<i>H</i>-pyrazol-3-ylcarbamoyl-piperazin-1-yl}-benzoicacidmethylester 

[1]BioorganicandMedicinalChemistry,2006,vol.14,p.7501-7511

[1]Patent:US2003/229067,2003,A1.Locationinpatent:Page31

Literature
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SDS
Tags:159974-63-7 Molecular Formula|159974-63-7 MDL|159974-63-7 SMILES|159974-63-7 Methyl 2-(piperazin-1-yl)benzoate
Catalog No.: AA001RHJ
159974-63-7,MFCD06656931
159974-63-7 | Methyl 2-(piperazin-1-yl)benzoate
Pack Size: 250mg
Purity: 95%
in stock
$54.00 $38.00
Pack Size: 1g
Purity: 95%
in stock
$131.00 $92.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA001RHJ
Chemical Name: Methyl 2-(piperazin-1-yl)benzoate
CAS Number: 159974-63-7
Molecular Formula: C12H16N2O2
Molecular Weight: 220.2676
MDL Number: MFCD06656931
SMILES: COC(=O)c1ccccc1N1CCNCC1
Properties
Complexity: 239  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.2  
Upstream Synthesis Route
67-56-1    446831-27-2    159974-63-7 

[1]Patent:WO2010/126851,2010,A1,.Locationinpatent:Page/Pagecolumn86

[2]Patent:WO2010/126811,2010,A1,.Locationinpatent:Page/Pagecolumn142-143

110-85-0    610-94-6    159974-63-7 

[1]Patent:US6218390,2001,B1,

110-85-0    610-94-6    584-08-7    159974-63-7 

[1]Patent:US6159990,2000,A,

159974-40-0    159974-63-7 

[1]TetrahedronLetters,1994,vol.35,#40,p.7331-7334

Downstream Synthesis Route
159974-40-0    159974-63-7 

[1]TetrahedronLetters,1994,vol.35,p.7331-7334

159974-63-7    200052-52-4   
6-(3,4-Difluoro-phenyl)-1-{5-4-(2-methoxycarbonyl-phenyl)-piperazin-1-yl-pentyl}-2,4-dimethyl-1,6-dihydro-pyrimidine-5-carboxylicacidmethylester 

[1]JournalofMedicinalChemistry,1999,vol.42,p.4804-4813

159974-63-7    200051-89-4   
4-(3,4-difluoro-phenyl)-3-{3-4-(2-methoxycarbonyl-phenyl)-piperazin-1-yl-propylcarbamoyl}-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylicacidmethylester 

[1]JournalofMedicinalChemistry,1999,vol.42,p.4794-4803

5-(4-chloro-phenyl)-2<i>H</i>-pyrazol-3-yl-carbamicacidphenylester 
  159974-63-7   
2-{4-5-(4-chloro-phenyl)-2<i>H</i>-pyrazol-3-ylcarbamoyl-piperazin-1-yl}-benzoicacidmethylester 

[1]BioorganicandMedicinalChemistry,2006,vol.14,p.7501-7511

159974-63-7    179480-81-0 

[1]Patent:US2003/229067,2003,A1.Locationinpatent:Page31

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