10-(3-Dimethylaminopropyl)-10,11-dihydrodibenzo(b,f)thiepin-10-carbonitrile hydrogen maleate

Base Information

Chemical Name:10-(3-Dimethylaminopropyl)-10,11-dihydrodibenzo(b,f)thiepin-10-carbonitrile hydrogen maleate
CAS No.:87033-79-2
Molecular Formula:C₂H₂O₄*C₂₀H₂₂N₂S
Molecular Weight:412.51
Hs Code.:

Synonyms:10-(3-Dimethylaminopropyl)-10,11-dihydrodibenzo(b,f)thiepin-10-carbonitrile hydrogen maleate;Dibenzo(b,f)thiepin-10-carbonitrile, 10,11-dihydro-10-(3-(dimethylamino)propyl)-, (Z)-2-butenedioate (1:1);87033-79-2

Suppliers and Price of 10-(3-Dimethylaminopropyl)-10,11-dihydrodibenzo(b,f)thiepin-10-carbonitrile hydrogen maleate

Supply Marketing:

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

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Chemical Property of 10-(3-Dimethylaminopropyl)-10,11-dihydrodibenzo(b,f)thiepin-10-carbonitrile hydrogen maleate

Chemical Property:

Vapor Pressure:1.07E-08mmHg at 25°C
Boiling Point:461.4°Cat760mmHg
Flash Point:232.9°C
Density:g/cm³
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:438.16132849
Heavy Atom Count:31
Complexity:570

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C[NH+](C)CCCC1(CC2=CC=CC=C2SC3=CC=CC=C31)C#N.C(=CC(=O)[O-])C(=O)O
Isomeric SMILES:C[NH+](C)CCCC1(CC2=CC=CC=C2SC3=CC=CC=C31)C#N.C(=C\C(=O)[O-])\C(=O)O

Technology Process of 10-(3-Dimethylaminopropyl)-10,11-dihydrodibenzo(b,f)thiepin-10-carbonitrile hydrogen maleate

There total 10 articles about 10-(3-Dimethylaminopropyl)-10,11-dihydrodibenzo(b,f)thiepin-10-carbonitrile hydrogen maleate 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:

: 4521-31-7
o-hydroxymethyl thiophenol

: 87033-79-2
10-(3-dimethylaminopropyl)-10,11-dihydrodibenzothiepin-10-carbonitrile hydrogen oxalate

Guidance literature:: Multi-step reaction with 6 steps

1: 65 percent / K₂CO₃, Cu / dimethylformamide / 14 h / Heating

2: 92 percent / SOCl₂ / benzene / 2 h / Heating

3: 25 percent / powdered KOH / dimethylsulfoxide / 2 h / 25 - 30 °C

4: 1.) ZnI₂, 2.) POCl₃ / 1.) benzene, R_.T_. 8 h, 2.) pyridine, reflux 6 h.

5: 12 percent / NaBH₄, 20 percent NaOH / ethanol / 11 h / Heating

6: 1.) 80percent NaH / 1.) DMF

With potassium hydroxide; sodium hydroxide; sodium tetrahydroborate; thionyl chloride; copper; sodium hydride; potassium carbonate; zinc(II) iodide; trichlorophosphate; In ethanol; dimethyl sulfoxide; N,N-dimethyl-formamide; benzene;
DOI:10.1135/cccc19831187

Reference yield:

: 63744-05-8
2-(2-hydroxymethylphenylthio)benzaldehyde

: 87033-79-2
10-(3-dimethylaminopropyl)-10,11-dihydrodibenzothiepin-10-carbonitrile hydrogen oxalate

Guidance literature:: Multi-step reaction with 3 steps

2: 12 percent / NaBH₄, 20 percent NaOH / ethanol / 11 h / Heating

3: 1.) 80percent NaH / 1.) DMF

With sodium hydroxide; sodium tetrahydroborate; sodium hydride; In ethanol;
DOI:10.1135/cccc19831187

Reference yield:

: 89-98-5
2-chloro-benzaldehyde

: 87033-79-2
10-(3-dimethylaminopropyl)-10,11-dihydrodibenzothiepin-10-carbonitrile hydrogen oxalate

Guidance literature:: Multi-step reaction with 4 steps

1: 72.5 g / NaOH / hexamethylphosphoric acid triamide; H₂O / 7 h / 100 °C

3: 12 percent / NaBH₄, 20 percent NaOH / ethanol / 11 h / Heating

4: 1.) 80percent NaH / 1.) DMF

With sodium hydroxide; sodium tetrahydroborate; sodium hydride; In N,N,N,N,N,N-hexamethylphosphoric triamide; ethanol; water;
DOI:10.1135/cccc19831187