5-(4-Methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-4-ol N,N-dimethylcarbamate

Base Information

Chemical Name:5-(4-Methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-4-ol N,N-dimethylcarbamate
CAS No.:131403-82-2
Molecular Formula:C₂₂H₂₀N₂O₃S
Molecular Weight:392.478
Hs Code.:
European Community (EC) Number:634-160-3
DSSTox Substance ID:DTXSID70274332
Nikkaji Number:J325.140C
ChEMBL ID:CHEMBL33096
Mol file:131403-82-2.mol

Synonyms:131403-82-2;5-(4-Methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-4-ol N,N-dimethylcarbamate;[6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] N,N-dimethylcarbamate;CHEMBL33096;6-(4-Methoxyphenyl)benzo[b]pyrrolo[1,2-d][1,4]thiazepin-7-yl dimethylcarbamate;DTXSID70274332;RGAJIKNGJBAVQP-UHFFFAOYSA-N;BDBM50041505;J-005996;(E)-6-(4-methoxyphenyl)benzo[b]pyrrolo[1,2-d][1,4]thiazepin-7-yl dimethylcarbamate;Dimethyl-carbamic acid 5-(4-methoxy-phenyl)-6-thia-10b-aza-benzo[e]azulen-4-yl ester;N,N-Dimethylcarbamic acid [6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] ester

Suppliers and Price of 5-(4-Methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-4-ol N,N-dimethylcarbamate

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

American Custom Chemicals Corporation
5-(4-METHOXYPHENYL)PYRROLO[2,1-D][1,5]BENZOTHIAZEPIN-4-OL N,N-DIMETHYLCARBAMATE 95.00%
5MG
$ 502.67

Total 6 raw suppliers

Chemical Property of 5-(4-Methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-4-ol N,N-dimethylcarbamate

Chemical Property:

PSA：69.00000
LogP:5.11560
Storage Temp.:2-8°C
XLogP3:4.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:392.11946368
Heavy Atom Count:28
Complexity:601

Purity/Quality:

98% ^*data from raw suppliers

5-(4-METHOXYPHENYL)PYRROLO[2,1-D][1,5]BENZOTHIAZEPIN-4-OL N,N-DIMETHYLCARBAMATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN(C)C(=O)OC1=C(SC2=CC=CC=C2N3C1=CC=C3)C4=CC=C(C=C4)OC

Technology Process of 5-(4-Methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-4-ol N,N-dimethylcarbamate

There total 6 articles about 5-(4-Methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-4-ol N,N-dimethylcarbamate 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:

: 43153-76-0
1-(2-mercaptophenyl)-pyrrole

: 131403-82-2
7-dimethylcarbamoyloxy-6-p-methoxyphenylpyrrolo<2,1-d><1,5>-benzothiazepine

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) sodium, ethanol / 1.) 15 min., 2.) THF, 60 deg C, 5h

2: 92 percent / NaOH / aq. ethanol / 5 h / Heating

3: 1.) PCl₅, 2.) AlCl₃ / 1.) CS₂, 65 deg C, 6h, 2.) CH₂Cl₂, 55-60 deg C, 23h

4: 1.) KH / 1.) THF, 5h, r.t., 2.) THF, 24 h

With sodium hydroxide; aluminium trichloride; ethanol; phosphorus pentachloride; sodium; potassium hydride; In ethanol;

Reference yield:

: 14062-18-1
ethyl p-methoxyphenylacetate

: 131403-82-2
7-dimethylcarbamoyloxy-6-p-methoxyphenylpyrrolo<2,1-d><1,5>-benzothiazepine

Guidance literature:: Multi-step reaction with 5 steps

1: 78 percent / N-bromosucchinimide / CCl₄ / 25 h / Heating

2: 1.) sodium, ethanol / 1.) 15 min., 2.) THF, 60 deg C, 5h

3: 92 percent / NaOH / aq. ethanol / 5 h / Heating

4: 1.) PCl₅, 2.) AlCl₃ / 1.) CS₂, 65 deg C, 6h, 2.) CH₂Cl₂, 55-60 deg C, 23h

5: 1.) KH / 1.) THF, 5h, r.t., 2.) THF, 24 h

With sodium hydroxide; N-Bromosuccinimide; aluminium trichloride; ethanol; phosphorus pentachloride; sodium; potassium hydride; In tetrachloromethane; ethanol;

Reference yield:

: 77629-83-5,77053-56-6
ethyl 2-bromo-2-(4-methoxyphenyl) acetate

: 131403-82-2
7-dimethylcarbamoyloxy-6-p-methoxyphenylpyrrolo<2,1-d><1,5>-benzothiazepine

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) sodium, ethanol / 1.) 15 min., 2.) THF, 60 deg C, 5h

2: 92 percent / NaOH / aq. ethanol / 5 h / Heating

3: 1.) PCl₅, 2.) AlCl₃ / 1.) CS₂, 65 deg C, 6h, 2.) CH₂Cl₂, 55-60 deg C, 23h

4: 1.) KH / 1.) THF, 5h, r.t., 2.) THF, 24 h

With sodium hydroxide; aluminium trichloride; ethanol; phosphorus pentachloride; sodium; potassium hydride; In ethanol;