6-(tert-Butoxycarbonyl)-6-azaspiro[2.5]octane-1-carboxylic acid(saltdata: free)

• CAS: 871727-05-8
• Catalog Number: ACM871727058
• Category: Amines
• Molecular Weight: 191.65526
• Molecular Formula: C₈H₁₄ClNO₂
• Synonyms: 6-(tert-butoxycarbonyl)-6-azaspiro[2.5]octane-1-carboxylic acid(SALTDATA: FREE);3. 6-[(tert-Butoxy)carbonyl]-6-a7.aspiro[2 5]octane- l -carboxyl ic acid;6-Boc-6-azaspiro[2.5]octane-1-carboxylic Acid;6-Azaspiro[2.5]octane-1,6-dicarboxylic acid, 6-(1,1-dimethylethyl) ester;6-azaspiro[2.5]octane-1-carboxylic acid;6-(tert-butoxycarbonyl)-6-azaspiro[2.5]octane-1,6-dicarboxylic acid
• Hazard Statements: Xi
• RIDADR: UN 2735PSN1 8 / PGII
• Safety Description: 26
• Supplemental Hazard Statements: H319
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C8H14ClNO2.

What is the molecular weight of the compound?

The molecular weight is 191.65 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 6-azaspiro[2.5]octane-2-carboxylic acid;hydrochloride.

What is the InChI of the compound?

The InChI is InChI=1S/C8H13NO2.ClH/c10-7(11)6-5-8(6)1-3-9-4-2-8;/h6,9H,1-5H2,(H,10,11);1H.

What is the InChIKey of the compound?

The InChIKey is VFEIJLDQEVDHOR-UHFFFAOYSA-N.

How many hydrogen bond donor atoms are in the compound?

There are 3 hydrogen bond donor atoms.

How many hydrogen bond acceptor atoms are in the compound?

There are 3 hydrogen bond acceptor atoms.

How many rotatable bonds are in the compound?

There is 1 rotatable bond.

What is the exact mass of the compound?

The exact mass is 191.0713064 g/mol.

Is the compound canonicalized?

Yes, the compound is canonicalized.

Synthetic Use

Upstream Synthesis Route 1

• 1242268-17-2

• 871727-05-8

Reference: [1] Patent: WO2015/949, 2015, A1, . Location in patent: Page/Page column 117-118

Upstream Synthesis Route 2

• 871727-04-7

• 871727-05-8

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2010, vol. 20, # 2, p. 608 - 611
[2] Patent: WO2006/2133, 2006, A1, . Location in patent: Page/Page column 49-50

Upstream Synthesis Route 3

• 1242268-17-2

• 871727-05-8

Reference: [1]Current Patent Assignee: ROCHE HOLDING AG - WO2015/949, 2015, A1
Location in patent: Page/Page column 117-118
[2]Current Patent Assignee: PFIZER INC - US2019/382384, 2019, A1
Location in patent: Paragraph 0473; 0476
[3]Current Patent Assignee: PFIZER INC - WO2019/239371, 2019, A1
Location in patent: Page/Page column 57; 58
[4]Current Patent Assignee: PFIZER INC - WO2020/234726, 2020, A1
Location in patent: Page/Page column 142; 144
[5]Current Patent Assignee: VALO HEALTH INC - WO2013/127269, 2013, A1
Location in patent: Page/Page column 189; 190