10-Methoxy-4-(1-methylpiperidin-4-yl)-4h-benzo[4,5]cyclohepta[1,2-b]thiophene-4-ol

Base Information

Chemical Name:10-Methoxy-4-(1-methylpiperidin-4-yl)-4h-benzo[4,5]cyclohepta[1,2-b]thiophene-4-ol
CAS No.:59743-88-3
Molecular Formula:C₂₀H₂₃NO₂S
Molecular Weight:341.474
Hs Code.:
European Community (EC) Number:261-907-7
DSSTox Substance ID:DTXSID90975157
Mol file:59743-88-3.mol

Synonyms:59743-88-3;10-methoxy-4-(1-methylpiperidin-4-yl)-4h-benzo[4,5]cyclohepta[1,2-b]thiophene-4-ol;EINECS 261-907-7;10-methoxy-4-(1-methylpiperidin-4-yl)-4H-benzo[4.5]cyclohepta[1,2-b]thiophene-4-ol;4-Hydroxy-10-methoxy-4-(1-methyl-4-piperidinyl)-4H-benzo(4,5)cyclohepta[1,2-b]thiophene;8-methoxy-2-(1-methylpiperidin-4-yl)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-ol;10-Methoxy-4-(1-methylpiperidin-4-yl)-4H-benzo(4.5)cyclohepta(1,2-b)thiophene-4-ol;Ketotifen Impurity B;(4RS)-10-Methoxy-4-(1-methylpiperidin-4-yl)-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ol;4-methoxy-10-(1-methylpiperidin-4-yl)benzo[1,2]cyclohepta[2,4-b]thiophen-10-ol;2-nitrobenzylidenedi(acetate);SCHEMBL11609680;DTXSID90975157;FT-0669704

Suppliers and Price of 10-Methoxy-4-(1-methylpiperidin-4-yl)-4h-benzo[4,5]cyclohepta[1,2-b]thiophene-4-ol

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

TRC
4-Hydroxy-9,10-dehydro-10-methoxyKetotifen
5mg
$ 155.00

AvaChem
4-Hydroxy-9,10-dehydro-10-methoxy ketotifen
50mg
$ 690.00

AvaChem
4-Hydroxy-9,10-dehydro-10-methoxy ketotifen
10mg
$ 295.00

Total 26 raw suppliers

Chemical Property of 10-Methoxy-4-(1-methylpiperidin-4-yl)-4h-benzo[4,5]cyclohepta[1,2-b]thiophene-4-ol

Chemical Property:

Vapor Pressure:8.27E-12mmHg at 25°C
Melting Point:194-196℃ (ethanol )
Boiling Point:524°C at 760 mmHg
PKA:12.91±0.40(Predicted)
Flash Point:270.7°C
PSA：60.94000
Density:1.26g/cm³
LogP:3.72160
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:341.14495015
Heavy Atom Count:24
Complexity:488

Purity/Quality:

99% ^*data from raw suppliers

4-Hydroxy-9,10-dehydro-10-methoxyKetotifen ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1CCC(CC1)C2(C3=C(C(=CC4=CC=CC=C42)OC)SC=C3)O
Uses Ketotifen impurity, used in separation of enantiomers of Ketotifen and its polar intermediate by isotachophoresis. Ketotifen (K315100) impurity, used in separation of enantiomers of Ketotifen and its polar intermediate by isotachophoresis.

Technology Process of 10-Methoxy-4-(1-methylpiperidin-4-yl)-4h-benzo[4,5]cyclohepta[1,2-b]thiophene-4-ol

There total 5 articles about 10-Methoxy-4-(1-methylpiperidin-4-yl)-4h-benzo[4,5]cyclohepta[1,2-b]thiophene-4-ol 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:

: 1622-55-5
9,10-dihydro-4H-benzo<4,5>cyclohepta<1,2-b>thiophen-4-one

: 59743-88-3,116655-77-7,116667-71-1
10-methoxy-4-(1-methyl-4-piperidyl)-4H-benzo<4,5>cyclohepta<1,2-b>thiopene-4-ol

Guidance literature:: Multi-step reaction with 3 steps

1: N-bromosuccinimide, dibenzyl peroxide / CCl₄ / 3 h / Heating; alkaline mother methanolic liquor after XXII was diluted with water and extracted dichlormethane

2: mother liquors after XXIV diluted warwe and extracted with dichlormethane

3: Mg / 1)Grignard reagent in THF 2)15 deg C, 50min, educt XXIV 3)1.5h room temp.

With N-Bromosuccinimide; magnesium; benzyl peroxide; In tetrachloromethane;

Reference yield:

: 59743-84-9
10-methoxy-4H-benzo<4,5>cyclohepta<1,2-b>thiophen-4-one

: 63463-36-5
(1-methyl-4-piperidyl)magnesium chloride

: 59743-88-3,116655-77-7,116667-71-1
10-methoxy-4-(1-methyl-4-piperidyl)-4H-benzo<4,5>cyclohepta<1,2-b>thiopene-4-ol

Guidance literature:: With tetrahydrofuran;
DOI:10.1002/hlca.19760590316

Reference yield:

: 34580-10-4
9,10-dibromo-9,10-dihydro-4H-benzo<4,5>cyclohepta<1,2-b>thiophene-4-one

: 59743-88-3,116655-77-7,116667-71-1
10-methoxy-4-(1-methyl-4-piperidyl)-4H-benzo<4,5>cyclohepta<1,2-b>thiopene-4-ol

Guidance literature:: Multi-step reaction with 2 steps

1: mother liquors after XXIV diluted warwe and extracted with dichlormethane

2: Mg / 1)Grignard reagent in THF 2)15 deg C, 50min, educt XXIV 3)1.5h room temp.

With magnesium;