tert-Butyl 4-(hydroxymethyl)-4-methoxypiperidine-1-carboxylate

Name: tert-Butyl 4-(hydroxymethyl)-4-methoxypiperidine-1-carboxylate
Brand: ChemScene
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CAS No. 239073-94-0
Cat. No. CS-0056559
Purity≥97%
MDL No.MFCD11845497

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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tert-Butyl 4-(hydroxymethyl)-4-methoxypiperidine-1-carboxylate|CS-0056559

Structure of 239073-94-0

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General Information

CAS No. 239073-94-0
Cat. No. CS-0056559
Purity ≥97%
MDL No. MFCD11845497
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₂₃NO₄
Molecular Weight 245.32
Synonym(s) 1-BOC-4-HYDROXYMETHYL-4-METHOXY-PIPERIDINE
SMILES CC(C)(C)OC(=O)N1CCC(CC1)(CO)OC

Description

tert-Butyl 4-(hydroxymethyl)-4-methoxypiperidine-1-carboxylate serves as a versatile, bench-stable building block for synthesizing bioactive piperidine derivatives. The pendant hydroxymethyl group enables efficient functionalization, while the tert-butoxycarbonyl protection ensures compatibility with diverse reaction conditions. This molecule integrates readily into medicinal chemistry campaigns targeting CNS modulators and kinase inhibitors.

Application

tert-Butyl 4-(hydroxymethyl)-4-methoxypiperidine-1-carboxylate serves as a versatile building block for medicinal chemistry, enabling efficient access to piperidine-based scaffolds. The pendant hydroxymethyl group facilitates downstream functionalization via oxidation or derivatization, while the methoxy substituent enhances metabolic stability and modulates physicochemical properties. The tert-butyl carbamate protects the nitrogen under standard reaction conditions, allowing orthogonal manipulation of multiple functional groups. This compound exhibits excellent bench stability and ease of purification, making it well-suited for iterative synthesis workflows in API development.

Synthesis

Route1
- 1345728-55-3
- ~%
- In-stock
  
  239073-94-0
References
- Astellas Pharma Inc.; SAMIZU, Kiyohiro; MASUDA, Naoyuki; IIKUBO, Kazuhiko; KOGANEMARU, Yohei; KAWANO, Noriyuki; OHMORI, Junya; MITANI, Yasuyuki; NI, Keni Patent: EP2565194 A1, 2013 ; Location in patent: Paragraph 0072 ;
Route2
- In-stock
  
  6192-52-5
- In-stock
  
  147804-30-6
- ~%
- In-stock
  
  239073-94-0
- 239073-93-9
References
- Takeda Chemical Industries, Ltd. Patent: US6403595 B1, 2002 ; US 6403595 B1
Route3
- In-stock
  
  203663-26-7
- ~%
- In-stock
  
  239073-94-0
References
- Astellas Pharma Inc.; SAMIZU, Kiyohiro; MASUDA, Naoyuki; IIKUBO, Kazuhiko; KOGANEMARU, Yohei; KAWANO, Noriyuki; OHMORI, Junya; MITANI, Yasuyuki; NI, Keni Patent: EP2565194 A1, 2013 ;

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 59
LogP 1.3948
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Alcohol

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

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tert-Butyl 4-(hydroxymethyl)-4-methoxypiperidine-1-carboxylate

CAS No. 239073-94-0

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