N-(Diphenylmethylene)glycine Ethyl Ester - CAS 69555-14-2
Catalog: |
BB033869 |
Product Name: |
N-(Diphenylmethylene)glycine Ethyl Ester |
CAS: |
69555-14-2 |
Synonyms: |
2-[(diphenylmethylene)amino]acetic acid ethyl ester; ethyl 2-(benzhydrylideneamino)acetate |
IUPAC Name: | ethyl 2-(benzhydrylideneamino)acetate |
Description: | N-(Diphenylmethylene)glycine Ethyl Ester (CAS# 69555-14-2) is used as a reagent in the synthesis of pyrazolopyrrolyl tetrahydropyran DPP-4 inhibitors. |
Molecular Weight: | 267.32 |
Molecular Formula: | C17H17NO2 |
Canonical SMILES: | CCOC(=O)CN=C(C1=CC=CC=C1)C2=CC=CC=C2 |
InChI: | InChI=1S/C17H17NO2/c1-2-20-16(19)13-18-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3 |
InChI Key: | QUGJYNGNUBHTNS-UHFFFAOYSA-N |
Boiling Point: | 357.9 °C at 760 mmHg |
Density: | 1.04 g/cm3 |
MDL: | MFCD00010590 |
LogP: | 3.08710 |
Publication Number | Title | Priority Date |
CN-111995565-A | Preparation method of (S) -2-piperidinecarboxylic acid | 20200724 |
WO-2021108023-A1 | Penicillin-binding protein inhibitors | 20191126 |
CN-112778273-A | Cyclic ketopyridone compounds and preparation method and application thereof | 20191111 |
US-2021130369-A1 | Ras inhibitors | 20191104 |
WO-2021091956-A1 | Ras inhibitors | 20191104 |
PMID | Publication Date | Title | Journal |
17261004 | 20070301 | Asymmetric synthesis of anti- and syn-2,3-diamino esters using sulfinimines. Water and concentration effects | Organic letters |
Complexity: | 306 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.125928785 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.125928785 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 38.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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