(S)-1-N-Boc-piperazine-2-carboxylic acid methyl ester

• CAS: 796096-64-5
• Catalog Number: ACM796096645
• Category: Other Products
• Molecular Weight: 244.289
• Molecular Formula: C₁₁H₂₀N₂O₄
• Synonyms: (S)-Piperazine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester; (S)-1-Boc-piperazine-2-carboxylic acid methyl ester;Methyl (S)-1-N-Boc-Piperazine-2-carboxylate;(S)-1-Bocmethylpiperazine-2-carboxylate;(S)-1-N-Boc-Piperazine-2-carboxylic acid methyl ester;REF DUPL: (S)-1-N-Boc-piperazine-2-carboxylic acid methyl ester;2-methyl ester (S)-1-Boc-piperazine-2-carboxylic acid methyl ester;Methyl (S)-1-Boc-piperazine-2-carboxylate;(S)-1-N-Boc-Piperazine-2-carboxylic acid Methyl ester 98%

Custom Q&A

What is the molecular formula of (S)-1-N-Boc-piperazine-2-carboxylic acid methyl ester?

The molecular formula is C11H20N2O4.

What is the molecular weight of (S)-1-N-Boc-piperazine-2-carboxylic acid methyl ester?

The molecular weight is 244.29 g/mol.

What is the InChI of (S)-1-N-Boc-piperazine-2-carboxylic acid methyl ester?

The InChI is InChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-6-5-12-7-8(13)9(14)16-4/h8,12H,5-7H2,1-4H3/t8-/m0/s1.

What is the InChIKey of (S)-1-N-Boc-piperazine-2-carboxylic acid methyl ester?

The InChIKey is BRXKHIPPSTYCKO-QMMMGPOBSA-N.

What is the Canonical SMILES of (S)-1-N-Boc-piperazine-2-carboxylic acid methyl ester?

The Canonical SMILES is CC(C)(C)OC(=O)N1CCNCC1C(=O)OC.

What is the IUPAC Name of (S)-1-N-Boc-piperazine-2-carboxylic acid methyl ester?

The IUPAC Name is 1-O-tert-butyl 2-O-methyl (2S)-piperazine-1,2-dicarboxylate.

What is the CAS number of (S)-1-N-Boc-piperazine-2-carboxylic acid methyl ester?

The CAS number is 796096-64-5.

How many hydrogen bond donor counts does (S)-1-N-Boc-piperazine-2-carboxylic acid methyl ester have?

It has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does (S)-1-N-Boc-piperazine-2-carboxylic acid methyl ester have?

It has 5 hydrogen bond acceptor counts.

How many rotatable bond counts does (S)-1-N-Boc-piperazine-2-carboxylic acid methyl ester have?

It has 4 rotatable bond counts.

Synthetic Use

Upstream Synthesis Route 1

• 885698-82-8

• 796096-64-5

Reference: [1] Journal of the American Chemical Society, 2016, vol. 138, # 2, p. 651 - 659

Upstream Synthesis Route 2

• 57260-71-6

• 796096-64-5

Reference: [1] Journal of the American Chemical Society, 2016, vol. 138, # 2, p. 651 - 659

Upstream Synthesis Route 3

• 371-27-7
• 129799-15-1

• 796096-64-5

Reference: [1] Arkivoc, 2012, vol. 2012, # 5, p. 60 - 74
[2] Arkivoc, 2012, vol. 2012, # 5, p. 60 - 74

Downstream Synthesis Route 1

• 796096-64-5
• 100-44-7

• 913359-74-7

Reference: [1]Patent: WO2006/113376,2006,A1 .Location in patent: Page/Page column 23-24

Downstream Synthesis Route 2

• 796096-64-5
• 226717-83-5

• 1076206-82-0

Reference: [1]Patent: WO2008/134035,2008,A1 .Location in patent: Page/Page column 209; 211-212

* For details of the synthesis route, please refer to the original source to ensure accuracy.