cis-(1)-2,3,4,5-Tetrahydro-3-(methylamino)-1-benzoxepin-5-ol hydrochloride

Base Information

Chemical Name:cis-(1)-2,3,4,5-Tetrahydro-3-(methylamino)-1-benzoxepin-5-ol hydrochloride
CAS No.:77956-93-5
Molecular Formula:C₁₁H₁₅NO₂*ClH
Molecular Weight:229.707
Hs Code.:
European Community (EC) Number:278-801-1
DSSTox Substance ID:DTXSID40228625

Synonyms:77956-93-5;EINECS 278-801-1;cis-(1)-2,3,4,5-Tetrahydro-3-(methylamino)-1-benzoxepin-5-ol hydrochloride;DTXSID40228625;Cis-(+-)-2,3,4,5-tetrahydro-3-(methylamino)-1-benzoxepin-5-ol hydrochloride

Suppliers and Price of cis-(1)-2,3,4,5-Tetrahydro-3-(methylamino)-1-benzoxepin-5-ol hydrochloride

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 6 raw suppliers

Chemical Property of cis-(1)-2,3,4,5-Tetrahydro-3-(methylamino)-1-benzoxepin-5-ol hydrochloride

Chemical Property:

Vapor Pressure:8.28E-05mmHg at 25°C
Boiling Point:327.3°Cat760mmHg
Flash Point:151.7°C
PSA：41.49000
Density:g/cm³
LogP:2.28340
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:229.0869564
Heavy Atom Count:15
Complexity:186

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CNC1CC(C2=CC=CC=C2OC1)O.Cl
Isomeric SMILES:CN[C@H]1C[C@H](C2=CC=CC=C2OC1)O.Cl

Technology Process of cis-(1)-2,3,4,5-Tetrahydro-3-(methylamino)-1-benzoxepin-5-ol hydrochloride

There total 11 articles about cis-(1)-2,3,4,5-Tetrahydro-3-(methylamino)-1-benzoxepin-5-ol hydrochloride 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:

: 62557-53-3
2,3,4,5-tetrahydro-1-benzoxepine-3,5-dione

: 77956-93-5,77956-94-6,103943-38-0
cis-3-methylamino-2,3,4,5-tetrahydro-1-benzoxepine-5-ol

Guidance literature:: Multi-step reaction with 3 steps

1: 81 percent / formic acid / CH₂Cl₂ / Heating

2: 79 percent / sodium cyanoborohydride, acetic acid, hydrochloric acid / dioxane / 25 °C

3: sodium borohydride, hydrochloric acid / methanol

With hydrogenchloride; sodium tetrahydroborate; sodium cyanoborohydride; acetic acid; formic acid; In 1,4-dioxane; methanol; dichloromethane;

Reference yield:

: 77956-92-4
methyl 2-(2-acetylphenoxy)acetate

: 77956-93-5,77956-94-6,103943-38-0
cis-3-methylamino-2,3,4,5-tetrahydro-1-benzoxepine-5-ol

Guidance literature:: Multi-step reaction with 4 steps

1: 63 percent / sodium hydride / dimethylformamide / 0.75 h / -20 - -10 °C

2: 81 percent / formic acid / CH₂Cl₂ / Heating

3: 79 percent / sodium cyanoborohydride, acetic acid, hydrochloric acid / dioxane / 25 °C

4: sodium borohydride, hydrochloric acid / methanol

With hydrogenchloride; sodium tetrahydroborate; sodium hydride; sodium cyanoborohydride; acetic acid; formic acid; In 1,4-dioxane; methanol; dichloromethane; N,N-dimethyl-formamide;

Reference yield:

: 77956-39-9
3-methylamino-1-benzoxepin-5-(2H)-one

: 77956-93-5,77956-94-6,103943-38-0
cis-3-methylamino-2,3,4,5-tetrahydro-1-benzoxepine-5-ol

: 77956-93-5,77956-94-6,103943-38-0
trans-3-methylamino-2,3,4,5-tetrahydro-1-benzoxepine-5-ol

Guidance literature:: With hydrogenchloride; sodium tetrahydroborate; In 1,4-dioxane; acetic acid; at 0 ℃; Yield given. Yields of byproduct given. Title compound not separated from byproducts;