Ethyl 4-(4,4-dimethylpiperidin-1-yl)benzoate

Name: Ethyl 4-(4,4-dimethylpiperidin-1-yl)benzoate
Brand: ChemScene
Availability: OutOfStock
Rating: 5 (1 reviews)

CAS No. 406233-25-8
Cat. No. CS-0452208
Purity≥98%
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+

An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

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*For research and further manufacturing use only, not for direct human use.

Ethyl 4-(4,4-dimethylpiperidin-1-yl)benzoate|CS-0452208

Structure of 406233-25-8

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General Information

CAS No. 406233-25-8
Cat. No. CS-0452208
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₆H₂₃NO₂
Molecular Weight 261.36
Synonym(s) ETHYL 4-(4,4-DIMETHYLPIPERIDINO)BENZENECARBOXYLATE
SMILES CCOC(=O)C1=CC=C(C=C1)N2CCC(C)(C)CC2

Synthesis

Route1
- 279692-23-8
- ~78%
- 406233-25-8
References
- Wendt, Michael D.; Shen, Wang; Kunzer, Aaron; McClellan, William J.; Bruncko, Milan; Oost, Thorsten K.; Ding, Hong; Joseph, Mary K.; Zhang, Haichao; Nimmer, Paul M.; Ng, Shi-Chung; Shoemaker, Alexander R.; Petros, Andrew M.; Oleksijew, Anatol; Marsh, Kennan; Bauch, Joy; Oltersdorf, Tilman; Belli, Barbara A.; Martineau, Darlene; Fesik, Stephen W.; Rosenberg, Saul H.; Elmore, Steven W. Journal of Medicinal Chemistry, 2006 , vol. 49, # 3 p. 1165 - 1181
Route2
- 279692-22-7
- ~%
- 406233-25-8
References
- Wendt, Michael D.; Shen, Wang; Kunzer, Aaron; McClellan, William J.; Bruncko, Milan; Oost, Thorsten K.; Ding, Hong; Joseph, Mary K.; Zhang, Haichao; Nimmer, Paul M.; Ng, Shi-Chung; Shoemaker, Alexander R.; Petros, Andrew M.; Oleksijew, Anatol; Marsh, Kennan; Bauch, Joy; Oltersdorf, Tilman; Belli, Barbara A.; Martineau, Darlene; Fesik, Stephen W.; Rosenberg, Saul H.; Elmore, Steven W. Journal of Medicinal Chemistry, 2006 , vol. 49, # 3 p. 1165 - 1181
Route3
- In-stock
  
  4160-82-1
- ~%
- 406233-25-8
References
- Wendt, Michael D.; Shen, Wang; Kunzer, Aaron; McClellan, William J.; Bruncko, Milan; Oost, Thorsten K.; Ding, Hong; Joseph, Mary K.; Zhang, Haichao; Nimmer, Paul M.; Ng, Shi-Chung; Shoemaker, Alexander R.; Petros, Andrew M.; Oleksijew, Anatol; Marsh, Kennan; Bauch, Joy; Oltersdorf, Tilman; Belli, Barbara A.; Martineau, Darlene; Fesik, Stephen W.; Rosenberg, Saul H.; Elmore, Steven W. Journal of Medicinal Chemistry, 2006 , vol. 49, # 3 p. 1165 - 1181

Safety Information

Download SDS

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 29.54
LogP 3.4897
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 3

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Ethyl 4-(4,4-dimethylpiperidin-1-yl)benzoate

CAS No. 406233-25-8

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