7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine

Base Information

Chemical Name:7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine
CAS No.:37462-47-8
Molecular Formula:C₁₂H₁₇NO₂
Molecular Weight:207.272
Hs Code.:
DSSTox Substance ID:DTXSID50513074
Nikkaji Number:J1.376.543J
Wikidata:Q82372648

Synonyms:7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine;37462-47-8;SCHEMBL3162737;DTXSID50513074;MHKDOURMQPZPAG-UHFFFAOYSA-N;AKOS009278810;AT34748;EN300-58592;1H-3-Benzazepine,2,3,4,5-tetrahydro-7,8-dimethoxy-

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

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Chemical Property of 7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine

Chemical Property:

Vapor Pressure:0mmHg at 25°C
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:207.125928785
Heavy Atom Count:15
Complexity:178

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=C2CCNCCC2=C1)OC

Technology Process of 7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine

There total 2 articles about 7,8-dimethoxy-2,3,4,5-tetrahydro-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:

: 20925-64-8
7,8-dimethoxy-2-oxo-2,3,4,5-tetrahydro-1H-3-benzazepine

: 37462-47-8
7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine

Guidance literature:: With sodium borohydrid; In 1,4-dioxane; water; acetic acid;

Reference yield:

: 24006-88-0
1,2-Bis(cyanomethyl)-4,5-dimethoxybenzol

: 37462-47-8
7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine

: 1,2-bis-(2-amino-ethyl)-4,5-dimethoxy-benzene

Guidance literature:: With ethanol; ammonia; nickel; at 120 ℃; Hydrogenation;
DOI:10.1021/ja01154a060

Reference yield:

: 37462-47-8
7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine

: 73943-05-2
6-chloro-2,3,4,5-tetrahydro-7,8-dihydroxy-3-methyl-9-(phenylthio)-1H-3-benzazepine

Guidance literature:: Multi-step reaction with 6 steps

1: 100 percent / Et₃N / toluene / Heating

2: 43 percent / ZnCl₂ / CCl₄ / 1.) a) from -15 deg C to RT, overnight, b) RT, 24 h

3: 47 percent / LiAlH₄ / tetrahydrofuran / 3 h / Heating

4: 76 percent / NaIO₄ / methanol / 1.) a) RT, 1 h, b) 40 deg C, overnight

5: 55 percent / SOCl₂ / CH₂Cl₂ / 1.) a) -78 deg C, 1 h, b) from 0 to 10 deg C, 4 h, c) from 10 deg C to RT, 1 d

6: 32 percent / L-methionine, CH₃SO₃H / 48 h / Ambient temperature

With sodium periodate; lithium aluminium tetrahydride; thionyl chloride; methanesulfonic acid; L-methionine; triethylamine; zinc(II) chloride; In tetrahydrofuran; methanol; tetrachloromethane; dichloromethane; toluene;
DOI:10.1021/jo00141a011