1-Benzyl 3-methyl (R)-piperazine-1,3-dicarboxylate

Name: 1-Benzyl 3-methyl (R)-piperazine-1,3-dicarboxylate
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CAS No. 405175-79-3
Cat. No. CS-0200100
Purity≥97%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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1-Benzyl 3-methyl (R)-piperazine-1,3-dicarboxylate|CS-0200100

Structure of 405175-79-3

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General Information

CAS No. 405175-79-3
Cat. No. CS-0200100
Purity ≥97%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₁₈N₂O₄
Molecular Weight 278.30
Synonym(s) 1-Benzyl 3-methyl (3R)-piperazine-1,3-dicarboxylate
SMILES COC(=O)[C@H]1CN(CCN1)C(=O)OCC2=CC=CC=C2

Synthesis

Route1
- 126330-92-5
- ~%
- 405175-79-3
References
- Hoekstra, William J.; Maryanoff, Bruce E.; Damiano, Bruce P.; Andrade-Gordon, Patricia; Cohen, Judith H.; Costanzo, Michael J.; Haertlein, Barbara J.; Hecker, Leonard R.; Hulshizer, Becky L.; Kauffman, Jack A.; Keane, Patricia; McComsey, David F.; Mitchell, John A.; Scott, Lorraine; Shah, Rekha D.; Yabut, Stephen C. Journal of Medicinal Chemistry, 1999 , vol. 42, # 25 p. 5254 - 5265
Route2
- 501-53-1
- ~%
- 405175-79-3
References
- Hoekstra, William J.; Maryanoff, Bruce E.; Damiano, Bruce P.; Andrade-Gordon, Patricia; Cohen, Judith H.; Costanzo, Michael J.; Haertlein, Barbara J.; Hecker, Leonard R.; Hulshizer, Becky L.; Kauffman, Jack A.; Keane, Patricia; McComsey, David F.; Mitchell, John A.; Scott, Lorraine; Shah, Rekha D.; Yabut, Stephen C. Journal of Medicinal Chemistry, 1999 , vol. 42, # 25 p. 5254 - 5265
Route3
- 126330-91-4
- ~%
- 405175-79-3
References
- Hoekstra, William J.; Maryanoff, Bruce E.; Damiano, Bruce P.; Andrade-Gordon, Patricia; Cohen, Judith H.; Costanzo, Michael J.; Haertlein, Barbara J.; Hecker, Leonard R.; Hulshizer, Becky L.; Kauffman, Jack A.; Keane, Patricia; McComsey, David F.; Mitchell, John A.; Scott, Lorraine; Shah, Rekha D.; Yabut, Stephen C. Journal of Medicinal Chemistry, 1999 , vol. 42, # 25 p. 5254 - 5265

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 67.87
LogP 0.77
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 3

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Piperazine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

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1-Benzyl 3-methyl (R)-piperazine-1,3-dicarboxylate

CAS No. 405175-79-3

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