218594-01-5

Basic information

• Product Name: 3-(2-OXO-ETHYL)-MORPHOLINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER
• Synonyms: 3-(2-OXO-ETHYL)-MORPHOLINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER;(S)-N-Boc-3-morpholinecarbaldehyde;(S)-tert-butyl 3-formylmorpholine-4-carboxylate;(S)-4-Boc-3-morpholinecarbaldehyde;tert-Butyl (3S)-3-formylmorpholine-4-carboxylate;(3S)-4-Boc-3-formyl-morpholine;4-Morpholinecarboxylicacid, 3-formyl-, 1,1-dimethylethyl ester, (3S)-
• CAS NO: 218594-01-5
• Molecular Formula: C₁₀H₁₇NO₄
• Molecular Weight: 229.27
• Mol File: 218594-01-5.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 330ºC at 760 mmHg
• Flash Point: 153.4ºC
• Appearance: /
• Density: 1.088g/cm3
• Vapor Pressure: 0.000171mmHg at 25°C
• Refractive Index: 1.462
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• CAS DataBase Reference: 3-(2-OXO-ETHYL)-MORPHOLINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(2-OXO-ETHYL)-MORPHOLINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER(218594-01-5)
• EPA Substance Registry System: 3-(2-OXO-ETHYL)-MORPHOLINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER(218594-01-5)

Safety Data

• Hazardous Substances Data: 218594-01-5(Hazardous Substances Data)

Usage

Uses

(S)-3-Formyl-morpholine-4-carboxylic Acid tert-Butyl Ester is used in preparation of dihydrobenzodioxine derivatives and analogs as RAS-effector protein interaction inhibitors.

InChI:InChI=1/C11H19NO4/c1-11(2,3)16-10(14)12-5-7-15-8-9(12)4-6-13/h6,9H,4-5,7-8H2,1-3H3

Upstream product

• 215917-99-0 (R)-3-(hydroxymethyl)morpholine-4-carboxylic acid tert-butyl ester 
• 783350-37-8 (S)-4-[(tert-butoxy)carbonyl]morpholine-3-carboxylic acid 

Relevant articles and documents

DIHYDROPYRIMIDINYLTHIAZOLE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION

The present invention provides novel compounds having the general formula: wherein R1, R2, X, Y and A are as described herein, compositions including the compounds and methods of using the compounds.

Discovery and Pre-Clinical Characterization of Third-Generation 4-H Heteroaryldihydropyrimidine (HAP) Analogues as Hepatitis B Virus (HBV) Capsid Inhibitors

Described herein are the discovery and structure-activity relationship (SAR) studies of the third-generation 4-H heteroaryldihydropyrimidines (4-H HAPs) featuring the introduction of a C6 carboxyl group as novel HBV capsid inhibitors. This new series of 4-H HAPs showed improved anti-HBV activity and better drug-like properties compared to the first- and second-generation 4-H HAPs. X-ray crystallographic study of analogue 12 (HAP_R01) with Cp149 Y132A mutant hexamer clearly elucidated the role of C6 carboxyl group played for the increased binding affinity, which formed strong hydrogen bonding interactions with capsid protein and coordinated waters. The representative analogue 10 (HAP_R10) was extensively characterized in vitro (ADMET) and in vivo (mouse PK and PD) and subsequently selected for further development as oral anti-HBV infection agent.

PROCESSES FOR PREPARING DIHYDROPYRIMIDINE DERIVATIVES AND INTERMEDIATES THEREOF

The present invention refers to processes for preparing a dihydropyrimidine compound having Formula (I), or a tautomer thereof having Formula (la), as well as a intermediate thereof. The process of the invention has simple operation, high optical purity of product, high yield and convenient work-up, which is suitable for industrial production.