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1-(10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoro-ethanone

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Origin: China

Cas No: 230615-51-7

Specification: 99%min

Min order Quantity: 1 /kg

Supply Ability: 100 mt/month

Lead time: 7 days for OEM, 3 days for ready goods

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Product Description

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CAS No.: 230615-51-7 Formula: C13H12F3NO Molecular Weight: 255.23600

Description

2,3,4,5-tetrahydro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine is a reactant used in the preparation of Varenicline, a nicotinic α4β2 acetylcholine receptor partial agonist. Aid in smoking cessation.

Basic Info

Chemical Name	1-(10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoro-ethanone
Synonyms	3-(trifluoroacetyl)-2,3,4,5-tetrahydro-1H-1,5-methano-3-benzazepine; 1-(4,5-Dihydro-1H-1,5-methanobenzo[d]azepin-3(2H)-yl)-2,2,2-trifluoroethanone; 2,3,4,5-Tetrahydro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine; 1-(10-Aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene-10-yl)-2,2,2-trifluoro-ethanone; 1-(10-aza-tricyclo[6.3.1.0(2.7)]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoro-ethanone;
CAS No.	230615-51-7
Molecular Formula	C13H12F3NO
Molecular Weight	255.23600
PSA	20.31000
LogP	2.59990

Properties

Density	1.333
Boiling Point	381.749ºC at 760 mmHg
Melting Point	67-68ºC
Flash Point	184.675ºC
Refractive Index	1.528
Vapor Pressure	0mmHg at 25°C

Safety Info

HS Code	2933990090

Synthesis Route

2,3,4,5-TETRAHYDRO-1H-1,5-METHANO-3-BENZAZEPINE HYDROCHLORIDE+Trifluoroacetic anhydride→1-(10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoro-ethanone
10-azabicyclo[6.3.1]dodeca-2,4,6-triene+Trifluoroacetic anhydride→1-(10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoro-ethanone
Trifluoroacetic anhydride+1,5-methano-2,3,4,5-tetrahydro-1H-3-benzazepine p-toluenesulfonic acid salt→1-(10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoro-ethanone

Precursor

10-azabicyclo[6.3.1]dodeca-2,4,6-triene
Trifluoroacetic anhydride
2,3,4,5-TETRAHYDRO-1H-1,5-METHANO-3-BENZAZEPINE HYDROCHLORIDE
1,5-methano-2,3,4,5-tetrahydro-1H-3-benzazepine p-toluenesulfonic acid salt

Downstream Product

2,3,4,5-Tetrahydro-7,8-dinitro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine

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