478832-21-2

Basic information

• Product Name: 4-HYDROXYAZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
• Synonyms: N-BOC-HEXAHYDRO-1H-AZEPIN-4-OL;1H-AZEPINE-1-CARBOXYLIC ACID, HEXAHYDRO-4-HYDROXY-, 1,1-DIMETHYLETHYL ESTER;4-HYDROXYAZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;4-HYDROXYAZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, 95+%;1-Boc-Hexahydro-1H-azepin-4-ol;1-Boc-Hexahydro-1H-azepin...;1-Boc-4-Hydroxyazepane;4-hydroxy-1-azepanecarboxylic acid tert-butyl ester
• CAS NO: 478832-21-2
• Molecular Formula: C₁₁H₂₁NO₃
• Molecular Weight: 215.29
• Mol File: 478832-21-2.mol
• Article Data: 14

Chemical Properties

• Boiling Point: 310.6 °C at 760 mmHg
• Flash Point: 141.7 °C
• Appearance: /
• Density: 1.079 g/cm³
• Vapor Pressure: 5.3E-05mmHg at 25°C
• Refractive Index: 1.489
• Storage Temp.: 2-8°C
• PKA: 15.06±0.20(Predicted)
• CAS DataBase Reference: 4-HYDROXYAZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 4-HYDROXYAZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER(478832-21-2)
• EPA Substance Registry System: 4-HYDROXYAZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER(478832-21-2)

Safety Data

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45
• RIDADR: UN2811
• HazardClass: IRRITANT
• Hazardous Substances Data: 478832-21-2(Hazardous Substances Data)

Usage

General Description

4-Hydroxyazepane-1-carboxylic Acid Tert-Butyl Ester is a specialized organic compound with azepane as the parent structural constituent. This chemical involves multiple components like hydroxy, carboxylic acid, and a tert-butyl ester. 4-HYDROXYAZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER finds usage in various research and synthetic applications due to its complex molecular structure. Being an ester, it is likely to undergo hydrolysis in the presence of strong acids or bases, although the specific properties like solubility, melting point, boiling point etc., may vary. The handling and storage of this chemical should be guided by proper safety measures due to its reactive nature.

InChI:InChI=1/C11H21NO3/c1-11(2,3)15-10(14)12-7-4-5-9(13)6-8-12/h9,13H,4-8H2,1-3H3

Upstream product

• 109162-29-0 1-benzyl-4-hydroxyhexahydro-1H-azepine 
• 1208-75-9 1-benzylazepan-4-one 
• 3612-20-2 1-phenylmethyl-4-piperidone 
• 1208-76-0 1-benzyl-1,2,3,5,6,7-hexahydroazepine-4-one hydrochloride 
• 24424-99-5 di-tert-butyl dicarbonate 
• 34619-03-9 tert-butyldicarbonate 
• 188975-88-4 tert-butyl 4-oxoazepane-1-carboxylate 
• 39888-51-2 azepan-4-ol 
• 79099-07-3 N-tert-butyloxycarbonylpiperidin-4-one 

Downstream Products

• 1103500-50-0 4-[5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-ylmethoxy]azepane-1-carboxylic acid tert-butyl ester 
• 47491-38-3 Desmethylazelastine 
• 955359-95-2 2-[1-(4-aminobutyl)hexahydro-1H-azepin-4-yl]-4-[(4-chlorophenyl)methyl]-1(2H)-phthalazinone hydrochloride 
• 955359-93-0 2-[1-(3-aminopropyl)hexahydro-1H-azepin-4-y|]-4-[(4-chlorophenyl)methyl]-1(2H)-phthalazinone hydrochloride 
• 955359-91-8 2-[1-(2-aminoethyl)hexahydro-1H-azepin-4-yl]-4-[(4-chlorophenyl)methyl]-1(2H)-phthalazinone hydrochloride 
• 955359-94-1 1,1-dimethylethyl (4-{4-[4-[(4-chlorophenyl)methyl]-1-oxo-2(1H)-phthalazinyl]hexahydro-1H-azepin-1-yl}butyl)carbamate 
• 955359-89-4 4-[(4-chlorophenyl)methyl]-2-[1-({4-[(3-chloropropyl)oxy]phenyl}methyl)hexahydro-1H-azepin-4-yl]-1(2H)-phthalazinone 

Relevant articles and documents

Interrupting the Barton?McCombie reaction: Aqueous deoxygenative trifluoromethylation of o-alkyl thiocarbonates

The site-selective trifluoromethylation of aliphatic systems remains an important challenge. This work describes a light-driven, copper-mediated trifluoromethylation of O-alkyl thiocarbonates. The reaction provides broad functional group tolerance (e.g., alkyne, alkene, phenol, free alcohol, electron-rich and -deficient arenes), thereby offering orthogonality and practicality for trifluoromethylation. A radical organometallic mechanism is proposed.

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.

12-EPI-PLEUROMUTILINS

A compound selected from 14-O-[((Alkyl-, cycloalkyl-, heterocycloalkyl-, heteoroaryl-, or aryl)-sulfanyl)-acetyl]-12-epi-mutilins, or 14-0-[((Alkyl-, cycloalkyl-, heterocycloalkyl-, heteoroaryl-, or aryl)-oxy)-acetyl]-12-epi-mutilins, wherein 12-epi-mutilin is characterized in that the mutilin ring at position 12 is substituted by two substituents, the first substituent at position 12 of the mutilin ring is a methyl group which methyl group has the inverse stereochemistry compared with the stereochemistry of the methyl group at position 12 of the naturally occurring pleuromutilin ring, the second substituent at position 12 of the mutilin ring is a hydrocarbon group comprising at least one nitrogen atom and all other substituents of the mutilin ring having the same stereochemistry compared with the stereochemistry of the substituents at the corresponding positions in the naturally occurring pleuromutilin ring; optionally in the form of a salt and/or solvate, wherein the naturally occurring pleuromutilin is of formula PLEU, processes for the preparation of such compounds and their use as pharmaceuticals.