648418-25-1

Basic information

• Product Name: 1H-AZEPINE-1-CARBOXYLIC ACID, HEXAHYDRO-4-HYDROXY-, PHENYLMETHYL ESTER
• Synonyms: 1H-AZEPINE-1-CARBOXYLIC ACID, HEXAHYDRO-4-HYDROXY-, PHENYLMETHYL ESTER;N-CBZ-HEXAHYDRO-1H-AZEPIN-4-OL;Hexahydro-4-hydroxy-1H-azepine-1-carboxylic acid phenylmethyl ester;N-Cbz-4-hydroxy-azepane
• CAS NO: 648418-25-1
• Molecular Formula: C14H19NO3
• Molecular Weight: 249.31
• Mol File: 648418-25-1.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 399.2 °C at 760 mmHg
• Flash Point: 195.2 °C
• Appearance: /
• Density: 1.184
• Refractive Index: 1.561
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 1H-AZEPINE-1-CARBOXYLIC ACID, HEXAHYDRO-4-HYDROXY-, PHENYLMETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-AZEPINE-1-CARBOXYLIC ACID, HEXAHYDRO-4-HYDROXY-, PHENYLMETHYL ESTER(648418-25-1)
• EPA Substance Registry System: 1H-AZEPINE-1-CARBOXYLIC ACID, HEXAHYDRO-4-HYDROXY-, PHENYLMETHYL ESTER(648418-25-1)

Safety Data

• Hazardous Substances Data: 648418-25-1(Hazardous Substances Data)

Usage

General Description

1H-Azepine-1-carboxylic acid, hexahydro-4-hydroxy-, phenylmethyl ester, also known as phenylmethyl hexahydro-4-hydroxy-1H-azepine-1-carboxylate, is a chemical compound with the molecular formula C16H23NO3. It is a phenylmethyl ester derivative of hexahydro-4-hydroxy-1H-azepine-1-carboxylic acid. 1H-Azepine-1-carboxylic acid, hexahydro-4-hydroxy-, phenylmethyl ester is a white solid with a melting point of 65-70°C and is sparingly soluble in water. It is used in the synthesis of various pharmaceuticals and organic compounds, and as a research chemical in the study of organic chemistry and drug development. It is also known by its CAS number 1211-78-5.

InChI:InChI=1/C14H19NO3/c16-13-7-4-9-15(10-8-13)14(17)18-11-12-5-2-1-3-6-12/h1-3,5-6,13,16H,4,7-11H2

Upstream product

• 83621-33-4 benzyl 4-oxoazepane-1-carboxylate 
• 61995-20-8 N-(benzyloxycarbonyl)-3-piperidone 

Downstream Products

• 39888-51-2 azepan-4-ol 

Relevant articles and documents

Stereo-complementary bioreduction of saturated N-heterocyclic ketones

The asymmetric bioreduction of several saturated N-heterocyclic ketones is demonstrated in a stereo-complementary fashion using the ketoreductases READH and ChKRED20 for the production of (S)- and (R)-alcohols, respectively. The reaction accepts substrates with a five-, six- or seven-membered ring, and exhibits excellent stereoselectivity when using 2-propanol as both the ultimate reducing agent and cosolvent, achieve >99% ee in the majority of cases for both enantiomers.

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COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF

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