1H-Azepine-1-carboxylic acid, hexahydro-4-hydroxy-, phenylmethyl ester

Base Information

• Chemical Name: 1H-Azepine-1-carboxylic acid, hexahydro-4-hydroxy-, phenylmethyl ester
• CAS No.: 648418-25-1
• Molecular Formula: C14H19NO3
• Molecular Weight: 249.31
• Mol file: 648418-25-1.mol

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

Chemical Property of 1H-Azepine-1-carboxylic acid, hexahydro-4-hydroxy-, phenylmethyl ester

Chemical Property:

• Refractive Index: 1.561
• Boiling Point: 399.2 °C at 760 mmHg
• Flash Point: 195.2 °C
• Density: 1.184 g/cm³
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98%min ^*data from raw suppliers

Benzyl 4-hydroxyazepane-1-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1H-Azepine-1-carboxylic acid, hexahydro-4-hydroxy-, phenylmethyl ester

There total 4 articles about 1H-Azepine-1-carboxylic acid, hexahydro-4-hydroxy-, phenylmethyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

benzyl 4-oxoazepane-1-carboxylate (83621-33-4) → benzyl 4-hydroxyazepane-1-carboxylate (648418-25-1,1292324-55-0)

Guidance literature:

benzyl 4-oxoazepane-1-carboxylate; With sodium tetrahydroborate; In methanol; at 0 - 20 ℃;

With hydrogenchloride; In methanol; water; pH=3;

Reference yield: 84.0%

benzyl 4-oxoazepane-1-carboxylate (83621-33-4) → (S)-benzyl 4-hydroxyazepane-1-carboxylate (648418-25-1,1292324-55-0)

Guidance literature:

With recombinant Rhodococcus erythropolis DSM 43297 ketoredutase; nicotinamide adenine dinucleotide; In aq. phosphate buffer; isopropyl alcohol; at 50 ℃; for 24h; pH=7.0; stereoselective reaction; Enzymatic reaction;

DOI:10.1016/j.procbio.2017.03.002

Reference yield: 50.0%

benzyl 4-oxoazepane-1-carboxylate (83621-33-4) → (R)-benzyl 4-hydroxyazepane-1-carboxylate (1017575-76-6,648418-25-1,1292324-55-0)

Guidance literature:

With recombinant Chryseobacterium sp. CA 49 ketoreductase; nicotinamide adenine dinucleotide; In aq. phosphate buffer; isopropyl alcohol; at 40 ℃; for 24h; pH=7.0; stereoselective reaction; Enzymatic reaction;

DOI:10.1016/j.procbio.2017.03.002

upstream raw materials:

benzyl 4-oxoazepane-1-carboxylate

N-(benzyloxycarbonyl)-3-piperidone

Downstream raw materials:

azepan-4-ol

Refernces

• 1、 -. "AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS". Page/Page column 0327; 0336; 0337. . Retrieved 2015/07/22.
• 2、 Li, Hongmei,Moncecchi, Johannah,Truppo, Matthew D.. "Development of an Immobilized Ketoreductase for Enzymatic (R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethanol Production". . p. 695 - 700. Retrieved 2015/07/27.