Methyl 1-Boc-1,2,3,6-tetrahydropyridine-4-carboxylate - CAS 184368-74-9
Catalog: |
BB014131 |
Product Name: |
Methyl 1-Boc-1,2,3,6-tetrahydropyridine-4-carboxylate |
CAS: |
184368-74-9 |
Synonyms: |
3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid O1-tert-butyl ester O4-methyl ester; 1-O-tert-butyl 4-O-methyl 3,6-dihydro-2H-pyridine-1,4-dicarboxylate |
IUPAC Name: | 1-O-tert-butyl 4-O-methyl 3,6-dihydro-2H-pyridine-1,4-dicarboxylate |
Description: | Methyl 1-Boc-1,2,3,6-tetrahydropyridine-4-carboxylate (CAS# 184368-74-9) is a useful research chemical. |
Molecular Weight: | 241.28 |
Molecular Formula: | C12H19NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(=CC1)C(=O)OC |
InChI: | InChI=1S/C12H19NO4/c1-12(2,3)17-11(15)13-7-5-9(6-8-13)10(14)16-4/h5H,6-8H2,1-4H3 |
InChI Key: | BNDRQMFIDHTNGI-UHFFFAOYSA-N |
LogP: | 1.66450 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-3019980-A1 | Novel compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same | 20170517 |
CA-3063934-A1 | Kinase inhibitors and uses thereof | 20170517 |
CN-110913858-A | Kinase inhibitors and uses thereof | 20170517 |
EP-3442973-A1 | Novel compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same | 20170517 |
EP-3624797-A1 | Kinase inhibitors and uses thereof | 20170517 |
Complexity: | 341 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.13140809 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.13140809 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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