CAS
910037-12-6 Purity
96%
910037-12-6 Purity
96%
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2H-Pyrido[3,2-b]-1,4-oxazine,3,4-dihydro-4-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS
910037-15-9
Catalog Number
ACM910037159
Category
Other Products
Molecular Weight
294.15442
Molecular Formula
C14H21BN2O3
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- Product Description
- Case Study
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- Synthetic Use
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Specification
Synonyms
4-Methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-boronic acid, pinacol ester;4-Methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-Methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-boronic acid, pinacol es
IUPAC Name
4-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(N=C2)N(CCO3)C
InChI Key
PDTRXHRSCGNYFD-UHFFFAOYSA-N
Boiling Point
419.5ºC at 760 mmHg
Melting Point
122.5-123.5ºC
Flash Point
207.5ºC
Density
1.15g/cm³
Exact Mass
276.16500
H-Bond Acceptor
5
H-Bond Donor
0
What is the IUPAC name of the compound with PubChem CID 24229653?
4-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
What is the molecular formula of the compound with PubChem CID 24229653?
C14H21BN2O3
What is the molecular weight of the compound with PubChem CID 24229653?
276.14 g/mol
How many hydrogen bond donor counts are there in the compound with PubChem CID 24229653?
0
How many hydrogen bond acceptor counts are there in the compound with PubChem CID 24229653?
5
What is the exact mass of the compound with PubChem CID 24229653?
276.1645227 g/mol
What is the topological polar surface area of the compound with PubChem CID 24229653?
43.8 2
How many heavy atoms are there in the compound with PubChem CID 24229653?
20
Is the compound with PubChem CID 24229653 canonicalized?
Yes
What is the InChIKey of the compound with PubChem CID 24229653?
PDTRXHRSCGNYFD-UHFFFAOYSA-N
Downstream Synthesis Route 1
- 1160789-85-4
- 910037-15-9
- 1160790-11-3
Reference: [1]Current Patent Assignee: SPERO THERAPEUTICS INC - WO2009/74812, 2009, A1
Location in patent: Page/Page column 32
Downstream Synthesis Route 2
- 910037-15-9
- 1374109-24-6
- 1374109-63-3
Reference: [1]Current Patent Assignee: GENERAL ELECTRIC CO - EP2634177, 2013, A1
Location in patent: Paragraph 0440; 0441
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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