112108-01-7

Basic information

• Product Name: Sch 39166
• Synonyms: Sch 39166;(6aS)-11-Chloro-6,6aβ,7,8,9,13bα-hexahydro-7-methyl-5H-benzo[d]naphth[2,1-b]azepin-12-ol;(6aβ,13bα)-11-Chloro-6,6a,7,8,9,13b-hexahydro-7-methyl-5H-benzo[d]naphth[2,1-b]azepin-12-ol;Ecopipam;5H-Benzo(D)naphth(2,1-B)azepin-12-ol, 11-chloro-6,6A,7,8,9,13B-hexahydro-7-methyl-, (6as,13br)-;5H-Benzo(D)naphth(2,1-B)azepin-12-ol, 11-chloro-6,6A,7,8,9,13B-hexahydro-7-methyl-, trans-(-)-;6,7,7A,8,9,13B-Hexahydro-3-chloro-2-hydroxy-N-methyl-5H-benzo(D)naphtho(2,1B)azepine;Ecopipam [inn]
• CAS NO: 112108-01-7
• Molecular Formula: C₁₉H₂₀ClNO
• Molecular Weight: 313.8212
• Mol File: 112108-01-7.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 451.9°Cat760mmHg
• Flash Point: 227.1°C
• Appearance: /
• Density: 1.22g/cm³
• Vapor Pressure: 8.75E-09mmHg at 25°C
• PKA: 8.73±0.20(Predicted)
• CAS DataBase Reference: Sch 39166(CAS DataBase Reference)
• NIST Chemistry Reference: Sch 39166(112108-01-7)
• EPA Substance Registry System: Sch 39166(112108-01-7)

Safety Data

• Hazardous Substances Data: 112108-01-7(Hazardous Substances Data)

Usage

InChI:InChI=1/C19H20ClNO.ClH/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21;/h2-5,10-11,17,19,22H,6-9H2,1H3;1H/t17-,19+;/m0./s1

Upstream product

• 104-53-0 3-phenyl-propionaldehyde 
• 1369217-06-0 1-chloro-2-methoxy-4-(4-phenyl-but-1-enyl)-benzene 
• 1369217-04-8 (+)-trans-N-[1-(4-chloro-3-methoxy-phenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-nitro-benzenesulfonamide 
• 1369217-07-1 C₂₄H₂₃ClN₂O₅S 
• 169249-10-9 (+)-trans-N-[1-(4-chloro-3-methoxy-phenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-methylamine 
• 16520-62-0 4-Phenyl-1-butyne 
• 16817-43-9 5-Bromo-2-chloroanisole 
• 110463-12-2 4-chloro-3-methoxyphenylmethyl(triphenyl)phosphonium bromide 
• 1056246-70-8 2-bromo-1-tetralone 
• 3490-06-0 N-methylhomoveratrylamine 
• 2461-34-9 1,2-epoxy-3,4-dihydronaphthalene 

Downstream Products

• 847265-00-3 6,6aS,7,8,9,13bR-hexahydro-7-methyl-11-nitro-N-phenylmethyl-5H-benzo[d]naphth[2,1-b]azepin-12-amine 

Relevant articles and documents

Catalytic enantioselective synthesis of the dopamine D1 antagonist ecopipam

A concise asymmetric synthesis of the potent dopamine D1 antagonist, ecopipam, has been accomplished in six steps with 33% overall yield via catalytic enantioselective aziridination and subsequent one-pot Friedel-Crafts cyclization of an in situ generated tethered aziridine with high diastereo- and enantioselectivities.

Synthesis and receptor affinities of some conformationally restricted analogues of the dopamine D1 selective ligand (5R)-8-chloro-2,3,4,5-tetrahydro-3-methyl-5-phenyl-1H-3-benzazepin-7-ol

The synthesis of a structurally novel series of 6,6a,7,8,9,13b-hexahydro-5H-benzo[d]naphtho[2,1-b]azepines (2), conformationally restricted analogues of the dopamine D1 antagonist (5R)-8-chloro-2,3,4,5-tetrahydro-3-methyl-5-phenyl-1H-3-benzazep