4-(Morpholinomethyl)phenylboronic acid pinacol ester

• CAS: 364794-79-6
• Catalog Number: ACM364794796
• Category: Other
• Molecular Weight: 303.2g/mol
• Molecular Formula: C17H26BNO3
• IUPAC Name: 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CN3CCOCC3
• InChI: InChI=1S/C17H26BNO3/c1-16(2)17(3,4)22-18(21-16)15-7-5-14(6-8-15)13-19-9-11-20-12-10-19/h5-8H,9-13H2,1-4H3
• InChI Key: JOIXYIWXEYXHHG-UHFFFAOYSA-N
• Complexity: 358
• Covalently-Bonded Unit Count: 1
• Exact Mass: 303.200574g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 22
• Monoisotopic Mass: 303.200574g/mol
• Rotatable Bond Count: 3

Custom Q&A

What is the chemical formula of 4-(Morpholinomethyl)phenylboronic acid pinacol ester?

The chemical formula is C17H26BNO3.

What is the molecular weight of 4-(Morpholinomethyl)phenylboronic acid pinacol ester?

The molecular weight is 303.2 g/mol.

What is the IUPAC name of 4-(Morpholinomethyl)phenylboronic acid pinacol ester?

The IUPAC name is 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine.

What is the InChI of 4-(Morpholinomethyl)phenylboronic acid pinacol ester?

The InChI is InChI=1S/C17H26BNO3/c1-16(2)17(3,4)22-18(21-16)15-7-5-14(6-8-15)13-19-9-11-20-12-10-19/h5-8H,9-13H2,1-4H3.

What is the InChIKey of 4-(Morpholinomethyl)phenylboronic acid pinacol ester?

The InChIKey is JOIXYIWXEYXHHG-UHFFFAOYSA-N.

What is the canonical SMILES of 4-(Morpholinomethyl)phenylboronic acid pinacol ester?

The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CN3CCOCC3.

What is the CAS number of 4-(Morpholinomethyl)phenylboronic acid pinacol ester?

The CAS number is 364794-79-6.

What is the European Community (EC) number of 4-(Morpholinomethyl)phenylboronic acid pinacol ester?

The European Community (EC) number is 670-514-3.

What is the DSSTox Substance ID of 4-(Morpholinomethyl)phenylboronic acid pinacol ester?

The DSSTox Substance ID is DTXSID80383722.

Is 4-(Morpholinomethyl)phenylboronic acid pinacol ester a canonicalized compound?

Yes, it is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 132833-51-3
• 73183-34-3

• 364794-79-6

Reference: [1] Patent: WO2009/155565, 2009, A1, . Location in patent: Page/Page column 143-144

Upstream Synthesis Route 2

• 110-91-8
• 138500-85-3

• 364794-79-6

Reference: [1] Patent: WO2006/20879, 2006, A1, . Location in patent: Page/Page column 108

Upstream Synthesis Route 3

• 110-91-8
• 302348-51-2

• 364794-79-6

Reference: [1] Organic Letters, 2013, vol. 15, # 18, p. 4850 - 4853

Upstream Synthesis Route 4

• 1122-91-4

• 364794-79-6

Reference: [1]Bioorganic and Medicinal Chemistry Letters,2002,vol. 12,p. 2989 - 2992

Downstream Synthesis Route 1

• 747413-74-7
• 364794-79-6

• 747413-75-8

Reference: [1]Patent: WO2004/72051,2004,A1 .Location in patent: Page 81

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