4-Boc-6-ethynyl-3,4-dihydro-2H-benzo[b][1,4]oxazine - CAS 1823265-04-8
Catalog: |
BB013908 |
Product Name: |
4-Boc-6-ethynyl-3,4-dihydro-2H-benzo[b][1,4]oxazine |
CAS: |
1823265-04-8 |
Synonyms: |
6-ethynyl-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid tert-butyl ester; tert-butyl 6-ethynyl-2,3-dihydro-1,4-benzoxazine-4-carboxylate |
IUPAC Name: | tert-butyl 6-ethynyl-2,3-dihydro-1,4-benzoxazine-4-carboxylate |
Description: | 4-Boc-6-ethynyl-3,4-dihydro-2H-benzo[b][1,4]oxazine (CAS# 1823265-04-8 ) is a useful research chemical. |
Molecular Weight: | 259.30 |
Molecular Formula: | C15H17NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCOC2=C1C=C(C=C2)C#C |
InChI: | InChI=1S/C15H17NO3/c1-5-11-6-7-13-12(10-11)16(8-9-18-13)14(17)19-15(2,3)4/h1,6-7,10H,8-9H2,2-4H3 |
InChI Key: | KNVWACBFDMBFFR-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
US-2020223827-A1 | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 20181214 |
US-2020223844-A1 | Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same | 20181214 |
KR-20210092312-A | 3,3-difluoroallylamine or salts thereof and pharmaceutical compositions comprising the same | 20181214 |
KR-20210092314-A | Triazolopyridin-3-one or salts thereof and pharmaceutical compositions comprising the same | 20181214 |
US-11091479-B2 | Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same | 20181214 |
Complexity: | 390 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.1208434 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.1208434 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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