N-(Diphenylmethylene)glycine Ethyl Ester - CAS 69555-14-2

Name: N-(Diphenylmethylene)glycine Ethyl Ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

Technical Data

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

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