5-((2-(Diethylamino)ethyl)amino)-7-methoxy-5,11-dihydro(1)benzoxepino(3,4-b)pyridine

Base Information

Chemical Name:5-((2-(Diethylamino)ethyl)amino)-7-methoxy-5,11-dihydro(1)benzoxepino(3,4-b)pyridine
CAS No.:115749-98-9
Molecular Formula:C₂₀H₂₇N₃O₂
Molecular Weight:341.453
Hs Code.:
DSSTox Substance ID:DTXSID60921803
Nikkaji Number:J352.084F
ChEMBL ID:CHEMBL107276
Mol file:115749-98-9.mol

Synonyms:5-((2-(diethylamino)ethyl)amino)-7-methoxy-5,11-dihydro(1)benzoxepino(3,4-b)pyridine;5-((2-(diethylamino)ethyl)amino)-7-methoxy-5,11-dihydro(1)benzoxepino(3,4-b)pyridine 1.5 fumarate;DEAMBP;KW 3407;KW-3407;KW3407

Suppliers and Price of 5-((2-(Diethylamino)ethyl)amino)-7-methoxy-5,11-dihydro(1)benzoxepino(3,4-b)pyridine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 5-((2-(Diethylamino)ethyl)amino)-7-methoxy-5,11-dihydro(1)benzoxepino(3,4-b)pyridine

Chemical Property:

Vapor Pressure:1.12E-08mmHg at 25°C
Boiling Point:461°Cat760mmHg
Flash Point:232.6°C
PSA：46.62000
Density:1.14g/cm³
LogP:3.39430
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:341.21032711
Heavy Atom Count:25
Complexity:391

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN(CC)CCNC1C2=C(COC3=C1C=C(C=C3)OC)N=CC=C2

Technology Process of 5-((2-(Diethylamino)ethyl)amino)-7-methoxy-5,11-dihydro(1)benzoxepino(3,4-b)pyridine

There total 16 articles about 5-((2-(Diethylamino)ethyl)amino)-7-methoxy-5,11-dihydro(1)benzoxepino(3,4-b)pyridine 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:

: 115750-44-2
7-methoxy-5,11-dihydro<1>benzoxepino<3,4-b>pyridin-5-one

: 115749-98-9,130220-59-6,130220-60-9
5-<<2-(diethylamino)ethyl>amino>-7-methoxy-5,11-dihydro<1>benzoxepino<3,4-b>pyridine

Guidance literature:: Multi-step reaction with 2 steps

1: TiCl₄ / CH₂Cl₂ / 1 h / Ambient temperature

2: Zn, AcOH / 1 h / Ambient temperature

With titanium tetrachloride; acetic acid; zinc; In dichloromethane;
DOI:10.1055/s-1997-1503

Reference yield:

: 130220-57-4
2-(4-methoxyphenoxymethyl)-3-pyridinecarboxylic acid

: 115749-98-9,130220-59-6,130220-60-9
5-<<2-(diethylamino)ethyl>amino>-7-methoxy-5,11-dihydro<1>benzoxepino<3,4-b>pyridine

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) TFAA, 2.) BF₃*Et₂O / 1.) CH₂Cl₂, RT, 1 h, 2.) CH₂Cl₂, reflus, 5 h

2: TiCl₄ / CH₂Cl₂ / 1 h / Ambient temperature

3: Zn, AcOH / 1 h / Ambient temperature

With boron trifluoride diethyl etherate; titanium tetrachloride; acetic acid; trifluoroacetic anhydride; zinc; In dichloromethane;
DOI:10.1055/s-1997-1503

Reference yield:

: 115750-44-2
7-methoxy-5,11-dihydro<1>benzoxepino<3,4-b>pyridin-5-one

: 115749-98-9,130220-59-6,130220-60-9,130220-61-0
N,N-Diethyl-N'-(7-methoxy-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-5-yl)-ethane-1,2-diamine

Guidance literature:: Multi-step reaction with 3 steps

1: 71 percent / NaBH₄ / ethanol; tetrahydrofuran / 3 h / Ambient temperature

2: SOCl₂ / CH₂Cl₂ / 1.) 0 deg C, 30 min, 2.) RT, 1 h

3: CH₂Cl₂ / 1.) 0 deg C, 30 min, 2.) RT, 1 h

With sodium tetrahydroborate; thionyl chloride; In tetrahydrofuran; ethanol; dichloromethane;
DOI:10.1021/jm00173a029