Potassium ethyl (4E)-2-O-(3-chloro-5-cyanophenyl)-4-deoxy-5-O-ethyl-3-C-(trifluoromethyl)pent-4-enonate

[K+].CCO\C=C\C([O-])(C(OC1=CC(Cl)=CC(=C1)C#N)C(=O)OCC)C(F)(F)F

InChIKey=NIQXZQBMHDYJKC-IPZCTEOASA-N

InChI=1S/C17H16ClF3NO5.K/c1-3-25-6-5-16(24,17(19,20)21)14(15(23)26-4-2)27-13-8-11(10-22)7-12(18)9-13;/h5-9,14H,3-4H2,1-2H3;/q-1;+1/b6-5+;

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:52:47 GMT 2025` Edited by `admin` on `Wed Apr 02 20:52:47 GMT 2025`
Record UNII	TL8NKB6LB6
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

Potassium ethyl (4E)-2-O-(3-chloro-5-cyanophenyl)-4-deoxy-5-O-ethyl-3-C-(trifluoromethyl)pent-4-enonate

Systematic Name

English

Doravirine potassium aldolate intermediate

Preferred Name

English

Pent-4-enonic acid, 2-O-(3-chloro-5-cyanophenyl)-4-deoxy-5-O-ethyl-3-C-(trifluoromethyl)-, ethyl ester, potassium salt (1:1), (4E)-

Systematic Name

English

Code System Code Type Description

CAS

2054541-25-0

Created by admin on Wed Apr 02 20:52:47 GMT 2025 , Edited by admin on Wed Apr 02 20:52:47 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

FDA UNII

TL8NKB6LB6

Created by admin on Wed Apr 02 20:52:47 GMT 2025 , Edited by admin on Wed Apr 02 20:52:47 GMT 2025

PRIMARY

CAS

1613307-29-1

Created by admin on Wed Apr 02 20:52:47 GMT 2025 , Edited by admin on Wed Apr 02 20:52:47 GMT 2025

PRIMARY

PUBCHEM

138984549

Created by admin on Wed Apr 02 20:52:47 GMT 2025 , Edited by admin on Wed Apr 02 20:52:47 GMT 2025

PRIMARY