Ethyl 1-boc-4-oxo-3-azepanecarboxylate

• CAS: 98977-37-8
• Catalog Number: ACM98977378
• Category: Other Products
• Molecular Weight: 285.34
• Molecular Formula: C₁₄H₂₃NO₅
• Synonyms: ETHYL 1-BOC-4-OXO-3-AZEPANECARBOXYLATE;1-tert-Butyl 3-ethyl 4-oxoazepane-1,3-dicarboxylate

Custom Q&A

What is the molecular formula of Ethyl 1-boc-4-oxo-3-azepanecarboxylate?

The molecular formula is C14H23NO5.

What are some synonyms for Ethyl 1-boc-4-oxo-3-azepanecarboxylate?

Some synonyms include 98977-37-8, 1-tert-butyl 3-ethyl 4-oxoazepane-1,3-dicarboxylate, and 1H-Azepine-1,3-dicarboxylic acid.

What is the molecular weight of Ethyl 1-boc-4-oxo-3-azepanecarboxylate?

The molecular weight is 285.34 g/mol.

What is the IUPAC name of Ethyl 1-boc-4-oxo-3-azepanecarboxylate?

The IUPAC name is 1-O-tert-butyl 3-O-ethyl 4-oxoazepane-1,3-dicarboxylate.

What is the InChIKey of Ethyl 1-boc-4-oxo-3-azepanecarboxylate?

The InChIKey is JHXZHJRQFDJAPP-UHFFFAOYSA-N.

What is the Canonical SMILES of Ethyl 1-boc-4-oxo-3-azepanecarboxylate?

The Canonical SMILES is CCOC(=O)C1CN(CCCC1=O)C(=O)OC(C)(C)C.

How many hydrogen bond acceptor counts are there in Ethyl 1-boc-4-oxo-3-azepanecarboxylate?

There are 5 hydrogen bond acceptor counts.

What is the formal charge of Ethyl 1-boc-4-oxo-3-azepanecarboxylate?

The formal charge is 0.

How many rotatable bond counts are there in Ethyl 1-boc-4-oxo-3-azepanecarboxylate?

There are 5 rotatable bond counts.

Is Ethyl 1-boc-4-oxo-3-azepanecarboxylate a canonicalized compound?

Yes, Ethyl 1-boc-4-oxo-3-azepanecarboxylate is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 623-73-4
• 98977-36-7

• 98977-37-8
• 98977-38-9

Reference: [1]Tetrahedron Letters,2018,vol. 59,p. 4611 - 4615
[2]Patent: US2007/32481,2007,A1 .Location in patent: Page/Page column 27
[3]Bioorganic and Medicinal Chemistry Letters,2008,vol. 18,p. 2103 - 2108
[4]Patent: WO2010/53825,2010,A1 .Location in patent: Page/Page column 32-33
[5]Journal of Medicinal Chemistry,1986,vol. 29,p. 224 - 229