6-Chloro-2,3,4,5-tetrahydro-7,8-dimethoxy-1-(4-methoxyphenyl)-1H-3-benzazepine

Base Information

• Chemical Name: 6-Chloro-2,3,4,5-tetrahydro-7,8-dimethoxy-1-(4-methoxyphenyl)-1H-3-benzazepine
• CAS No.: 67287-53-0
• Molecular Formula: C19H22ClNO3
• Molecular Weight: 347.842
• Hs Code.: 2933990090
• European Community (EC) Number: 266-633-1
• DSSTox Substance ID: DTXSID80986479
• Nikkaji Number: J310.224F
• Mol file: 67287-53-0.mol

Synonyms:67287-53-0;6-Chloro-7,8-dimethoxy-1-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine;6-Chloro-2,3,4,5-tetrahydro-7,8-dimethoxy-1-(4-methoxyphenyl)-1H-3-benzazepine;9-chloro-7,8-dimethoxy-5-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine;EINECS 266-633-1;6-chloro-7,8-dimethoxy-1-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine;SCHEMBL7904596;DTXSID80986479;MYTZRTXHMVXREA-UHFFFAOYSA-N;MFCD08460175;AKOS015951012;1H-3-Benzazepine,6-chloro-2,3,4,5-tetrahydro-7,8-dimethoxy-1-(4-methoxyphenyl)-;DS-16611;CS-0150398;FT-0641113;C76120;A867303;6-Chloro-2,3,4,5-tetrahydro-7,8-dimethoxy-1-(4-methoxyphenyl)1H-3-benzazepine

Chemical Property of 6-Chloro-2,3,4,5-tetrahydro-7,8-dimethoxy-1-(4-methoxyphenyl)-1H-3-benzazepine

Chemical Property:

• Vapor Pressure: 2.42E-09mmHg at 25°C
• Melting Point: 140-145 °C
• Refractive Index: 1.555
• Boiling Point: 479.2 °C at 760 mmHg
• PKA: 9.16±0.40(Predicted)
• Flash Point: 243.6 °C
• PSA: 39.72000
• Density: 1.166 g/cm³
• LogP: 3.97220
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 347.1288213
• Heavy Atom Count: 24
• Complexity: 389

Purity/Quality:

98%,99%, ^*data from raw suppliers

6-Chloro-7,8-dimethoxy-1-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2CNCCC3=C(C(=C(C=C23)OC)OC)Cl

Technology Process of 6-Chloro-2,3,4,5-tetrahydro-7,8-dimethoxy-1-(4-methoxyphenyl)-1H-3-benzazepine

There total 19 articles about 6-Chloro-2,3,4,5-tetrahydro-7,8-dimethoxy-1-(4-methoxyphenyl)-1H-3-benzazepine 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%

C18H20ClNO3 + dimethyl sulfate (77-78-1) → 6-chloro-7,8-dimethoxy-1-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine (67287-53-0)

Guidance literature:

In ethanol; at 20 ℃;

Reference yield: 83.5%

concentrated H2 SO4 + N-[2-hydroxy-2-(4'-methoxyphenyl)ethyl]-2-(2-chloro-3,4-dimethoxyphenyl)ethylamine (71636-38-9) → 6-chloro-7,8-dimethoxy-1-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine (67287-53-0)

Guidance literature:

With sodium hydroxide; In CF₃ COOH; chloroform;

Reference yield: 69.0%

N-[2-hydroxy-2-(4'-methoxyphenyl)ethyl]-2-(2-chloro-3,4-dimethoxyphenyl)ethylamine (71636-38-9) → 6-chloro-7,8-dimethoxy-1-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine (67287-53-0)

Guidance literature:

With sulfuric acid; trifluoroacetic acid; at 25 ℃; for 3.5h;

DOI:10.1021/jm00161a029

upstream raw materials:

N-[2-hydroxy-2-(4'-methoxyphenyl)ethyl]-2-(2-chloro-3,4-dimethoxyphenyl)ethylamine

isovanillin

4-Methoxystyrene

2-chloro-3,4-dimethoxybenzyl chloride

Downstream raw materials:

[6-Chloro-7,8-dimethoxy-1-(4-methoxy-phenyl)-1,2,4,5-tetrahydro-benzo[d]azepin-3-yl]-cyclopropyl-methanone

Refernces

• 1、 -. "Solid oral preparation containing a pyrrolidine derivative with a catechol group". . . Retrieved 2008/06/13.
• 2、 Weinstock,Wilson,Ladd,Brush,Pfeiffer,Kuo,Holden,Yim,Hahn,Wardell Jr.,Tobia,Setler,Sarau,Ridley. "Separation of potent central and renal dopamine agonist activity in substituted 6-Chloro-2,3,4,5-tetrahydro-7,8-dihydroxy-1-phenyl-1H-3-benzazepines". . p. 973 - 975. Retrieved 2007/10/02.