[4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl Pivalate - CAS 1146629-75-5
Catalog: |
BB003412 |
Product Name: |
[4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl Pivalate |
CAS: |
1146629-75-5 |
Synonyms: |
2,2-dimethylpropanoic acid (4-chloro-7-pyrrolo[2,3-d]pyrimidinyl)methyl ester; (4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate |
IUPAC Name: | (4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate |
Description: | [4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl Pivalate (CAS# 1146629-75-5 ) is a useful research chemical. |
Molecular Weight: | 267.71 |
Molecular Formula: | C12H14ClN3O2 |
Canonical SMILES: | CC(C)(C)C(=O)OCN1C=CC2=C1N=CN=C2Cl |
InChI: | InChI=1S/C12H14ClN3O2/c1-12(2,3)11(17)18-7-16-5-4-8-9(13)14-6-15-10(8)16/h4-6H,7H2,1-3H3 |
InChI Key: | DTPDTZKIIYSQPO-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 2.63150 |
Publication Number | Title | Priority Date |
CN-110950806-A | Preparation method of pyrimidine cyclic hydroxy chloride by catalysis of tetraethylammonium chloride | 20191114 |
KR-20210058277-A | Pyrrolopyrimidine, pyrrolopyridine, and indazole derivatives as therapeutic agents | 20191114 |
WO-2021096112-A1 | Pyrrolopyrimidine, pyrrolopyridine and indazole compound derivative, and therapeutic pharmaceutical composition containing same | 20191114 |
CN-111620873-A | Pyrrolo [2,3-d ] pyrimidine derivatives containing piperidine and preparation and application thereof | 20190228 |
US-2019202834-A1 | Baricitinib intermediate, method for forming baricitinib intermediate, and method for preparing baricitinib or pharmaceutically acceptable salt thereof | 20171229 |
Complexity: | 319 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.0774544 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.0774544 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 57 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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