2,3,4,5-Tetrahydro-1H-benzo[d]azepine

Base Information

• Chemical Name: 2,3,4,5-Tetrahydro-1H-benzo[d]azepine
• CAS No.: 4424-20-8
• Molecular Formula: C10H13N
• Molecular Weight: 147.22
• Hs Code.: 29339900
• European Community (EC) Number: 807-686-8
• DSSTox Substance ID: DTXSID80362774
• Nikkaji Number: J1.376.544H
• Wikidata: Q72505342
• ChEMBL ID: CHEMBL253155
• Mol file: 4424-20-8.mol

Synonyms:2,3,4,5-Tetrahydro-1H-benzo[d]azepine;4424-20-8;2,3,4,5-tetrahydro-1H-3-benzazepine;1H-3-BENZAZEPINE, 2,3,4,5-TETRAHYDRO-;5-Azabenzocycloheptene;CHEMBL253155;MFCD04012620;BAS 03334745;tetrahydro-3-benzazepine;SCHEMBL175146;tetrahydro-1H-benzo[d]azepine;DTXSID80362774;AMY22742;BDBM50477836;STK085105;AKOS000650407;AB16913;SB10627;1,2,4,5-tetrahydro-3H-3-benzazepine;2,3,4,5-tetrahydro-1H-benz[d]azepine;BS-13483;BB 0237435;CS-0139564;FT-0650600;EN300-79120;A849636;Z368542280

Chemical Property of 2,3,4,5-Tetrahydro-1H-benzo[d]azepine

Chemical Property:

• Vapor Pressure: 0.0135mmHg at 25°C
• Refractive Index: 1.565 (589.3 nm 20℃)
• Boiling Point: 258.8 °C at 760 mmHg
• PKA: 10.27±0.20(Predicted)
• Flash Point: 114.9 °C
• PSA: 12.03000
• Density: 0.981 g/cm³
• LogP: 1.70360
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 147.104799419
• Heavy Atom Count: 11
• Complexity: 108

Purity/Quality:

99% ^*data from raw suppliers

5-Azabenzocycloheptene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-34
• Safety Statements: 23-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC2=CC=CC=C21

Technology Process of 2,3,4,5-Tetrahydro-1H-benzo[d]azepine

There total 16 articles about 2,3,4,5-Tetrahydro-1H-benzo[d]azepine 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: 100.0%

1,2-phenylenebis(ethane-2,1-diyl) dimethanesulfonate (130800-04-3) → 2,3,4,5-tetrahydro-1H-3-benzazepine (4424-20-8)

Guidance literature:

With ammonia; at 90 ℃; for 3h; Sealed tube;

Reference yield: 95.0%

3-benzyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine (695811-96-2) → 2,3,4,5-tetrahydro-1H-3-benzazepine (4424-20-8)

Guidance literature:

With hydrogenchloride; palladium 10% on activated carbon; In ethanol; water; at 20 ℃; for 48h;

Reference yield: 77.0%

3-formyl-2,3,4,5-tetrahydro-1H-3-benzazepine (215033-43-5) → 2,3,4,5-tetrahydro-1H-3-benzazepine (4424-20-8)

Guidance literature:

With sodium hydroxide; In ethanol; for 1h; Heating;

DOI:10.3987/com-00-8982

upstream raw materials:

1,2-phenylenediacetonitrile

ethanol

ammonia

3-formyl-2,3,4,5-tetrahydro-1H-3-benzazepine

Downstream raw materials:

3-benzyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine

3-formyl-2,3,4,5-tetrahydro-1H-3-benzazepine

GSK-J1

Refernces

• 1、 -. "Compound as potassium channel modulator". Paragraph 0606; 0608; 0613; 0614. . Retrieved 2018/07/30.
• 2、 Fish, Paul V.,Brown, Alan D.,Evrard, Edel,Roberts, Lee R.. "7-Sulfonamido-3-benzazepines as potent and selective 5-HT2C receptor agonists: Hit-to-lead optimization". scheme or table. p. 1871 - 1875. Retrieved 2009/12/03.