Chemical Products N-Benzyltropinone Production Methods

CAS No:28957-72-4
Formula:C14H17NO
Synonyms:3-BENZYL-3,8-DIAZABICYCLO[3.2.1]OCTANE;3-benzyl-3-azedicyclo(3,2,1)octan-8-one;8-Benzyl-8-azabicyclo[3.2.1]octane-3-one;N-Benzyl-3-nortropinone;N-Benzyltropinone,96%;8-Benzyl-8-azabicyclo[3.2...;8-Benzyl-1αH,5αH-nortropan-3-one;8-Benzyl-3-nortropanone
China Export:From 2018.11 to 2019.11, total export volume of N-Benzyltropinone from China was 112,377,052KG while total export value was $2,146,929,254. The biggest proportion of exporting volume in the last 12 months was 9.88% in 2019.03.

Chemical Products N-Benzyltropinone Description
Off-White to Pale Yellow Low-Melting Solid

Chemical Products N-Benzyltropinone Basic Attributes
CAS No：28957-72-4

Molecular Formula ：C14H17NO

Molecular Mass ：215.29

Exact Mass ：215.131012

PSA ：20.3 A^2

LogP ：1.8

EINECS ：249-329-3

InChIKeys ：RSUHKGOVXMXCND-UHFFFAOYSA-N

H-bond Acceptor ：2

H-bond Donor ：0

SP3 ：0.50

RBN ：2

Chemical Products N-Benzyltropinone Characteristics
Density ：1.1±0.1 g/cm3

Melting Point ：28-29°C

Bolling Point ：134-137°C/0.4 mm

Flash Point ：151.0±11.9 °C

Refractive Index ：1.584

Chemical Products N-Benzyltropinone Safety Information
HS Code ：2933990090

Risk Code ：34

Safety Instructions ：23-26-36/37/39-45

Dangerous Mark ：C

P Code ：P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, P501

Chemical Products N-Benzyltropinone Product Usage
An intermediate for the preparation of β-Cocaine, opioid receptor antagonists, and CCR-5 receptor antagonists

Chemical Products N-Benzyltropinone Production Methods
Concentrated hydrochloric acid (30 mL) was added to a heterogeneous solution of 2, 5-dimethoxy tetrahydrofuran (82.2 g, 0.622 mol) in water (170 mL) while stirring. Preparation of 8-Benzyl-8-aza-bicyclo[3.2.1]octan-3-one; A solution of 2, 5-dimethoxy tetrahydro furan (15 g, 113 mmol) in 1N HCI (250 mL) was heated to 70A solution of 2, 5-dimethoxytetrahydrofuran (19.8 g, 149.8 mmol) in 0.1M hydrochloric acid (180 ml, 18.0 mmol) was stirred at 80°C for 2 hours. The reaction solution was cooled to 0°C, acetonedicarboxylic acid (19.8 g, 149.8 mmol), concentrated hydrochloric acid (13.8 ml, 164.8 mmol), sodium acetate (14.8 g, 179.8 mmol), and benzylamine (17.7 g, 164.8 mmol) were added to the reaction solution, and the mixture was stirred at the same temperature for 12 hours and at 55°C for 2 hours. The reaction solution was cooled to room temperature, and an aqueous solution of 4M sodium hydroxide (70 ml) was added, followed by extraction with chloroform. The organic layer was dried over sodium sulfate and then concentrated under a reduced pressure. The residue was purified by flash chromatography (silica gel, n-hexane/ethyl acetate) to give a title compound (23.3 g, 108 mmol, 72percent) as a light yellow oil product.

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