(S)-1-Boc-5-(thiazolidine-3-carbonyl)pyrrolidin-3-one - CAS 401564-36-1
Catalog: |
BB024335 |
Product Name: |
(S)-1-Boc-5-(thiazolidine-3-carbonyl)pyrrolidin-3-one |
CAS: |
401564-36-1 |
Synonyms: |
(2S)-4-oxo-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl (2S)-4-oxo-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate |
IUPAC Name: | tert-butyl (2S)-4-oxo-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate |
Description: | (S)-1-Boc-5-(thiazolidine-3-carbonyl)pyrrolidin-3-one (CAS# 401564-36-1) is an intermediate used to prepare dipeptidyl peptidase IV (DPP-IV) inhibitors. |
Molecular Weight: | 300.37 |
Molecular Formula: | C13H20N2O4S |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC(=O)CC1C(=O)N2CCSC2 |
InChI: | InChI=1S/C13H20N2O4S/c1-13(2,3)19-12(18)15-7-9(16)6-10(15)11(17)14-4-5-20-8-14/h10H,4-8H2,1-3H3/t10-/m0/s1 |
InChI Key: | ULXKZRPRLJGLDM-JTQLQIEISA-N |
Appearance: | Light brown powder |
LogP: | 0.97360 |
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-111440154-A | Synthetic method of tegaserod dimer impurity | 20200424 |
CN-110724138-A | Synthesis method of (2S) -4-oxo-2- (3-thiazolidinyl carbonyl) -1-pyrrolidine carboxylic acid tert-butyl ester | 20191021 |
CN-110294748-B | Synthesis method of teneligliptin key intermediate | 20190725 |
CN-109503567-A | A kind of industrialized preparing process of teneligliptin intermediate | 20181229 |
JP-2019147763-A | Method for producing proline amide compound | 20180227 |
Complexity: | 433 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 300.11437830 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 300.11437830 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 92.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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