Methyl 1-Boc-2-pyrrolidinecarboxylate - CAS 145681-01-2
Catalog: |
BB009980 |
Product Name: |
Methyl 1-Boc-2-pyrrolidinecarboxylate |
CAS: |
145681-01-2 |
Synonyms: |
pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester; 1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate |
IUPAC Name: | 1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate |
Description: | Methyl 1-Boc-2-pyrrolidinecarboxylate (CAS# 145681-01-2) is a useful research chemical. |
Molecular Weight: | 229.27 |
Molecular Formula: | C11H19NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCCC1C(=O)OC |
InChI: | InChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-7-5-6-8(12)9(13)15-4/h8H,5-7H2,1-4H3 |
InChI Key: | WVDGSSCWFMSRHN-UHFFFAOYSA-N |
MDL: | MFCD03762834 |
LogP: | 1.49680 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111057736-A | Application of lipase in splitting BOC-DL-proline methyl ester | 20200106 |
US-2021139489-A1 | Methods of treating painful diabetic peripheral neuropathy | 20191111 |
CN-112778331-A | Tricyclic dihydroimidazopyrimidinone derivatives, preparation method, pharmaceutical composition and application thereof | 20191109 |
WO-2021089032-A1 | Tricyclic dihydroimidazopyrimidone derivative, preparation method therefor, pharmaceutical composition and use thereof | 20191109 |
WO-2021041671-A1 | Kras g12d inhibitors | 20190829 |
Complexity: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.13140809 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.13140809 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55.8 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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Pyrrolidines
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