3-Chloro-5-(4-methylpiperazino)-6,7-dihydro-5H-dibenzo(b,g)thiocin dimaleate hemihydrate

Base Information

Chemical Name:3-Chloro-5-(4-methylpiperazino)-6,7-dihydro-5H-dibenzo(b,g)thiocin dimaleate hemihydrate
CAS No.:74801-58-4
Molecular Formula:2C₄H₄O₄*C₂₀H₂₃ClN₂S
Molecular Weight:591.082
Hs Code.:

Synonyms:VUFB-12324;3-Chloro-5-(4-methylpiperazino)-6,7-dihydro-5H-dibenzo(b,g)thiocin dimaleate hemihydrate;Piperazine, 1-(3-chloro-6,7-dihydro-5H-dibenzo(b,g)thiocin-5-yl)-4-methyl-, (Z)-2-butenedioate, hydrate (2:4:1);74801-58-4;C20H23ClN2S.2C4H4O4.1/2H2O;LS-111120;C20-H23-Cl-N2-S.2C4-H4-O4.1/2H2-O

Suppliers and Price of 3-Chloro-5-(4-methylpiperazino)-6,7-dihydro-5H-dibenzo(b,g)thiocin dimaleate hemihydrate

Supply Marketing:

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

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Chemical Property of 3-Chloro-5-(4-methylpiperazino)-6,7-dihydro-5H-dibenzo(b,g)thiocin dimaleate hemihydrate

Chemical Property:

Vapor Pressure:7.76E-09mmHg at 25°C
Boiling Point:465.3°C at 760 mmHg
Flash Point:235.2°C
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:5
Exact Mass:590.1489648
Heavy Atom Count:40
Complexity:531

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1CCN(CC1)C2CCC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
Isomeric SMILES:CN1CCN(CC1)C2C3=C(SC4=CC=CC=C4CC2)C=CC(=C3)Cl.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Technology Process of 3-Chloro-5-(4-methylpiperazino)-6,7-dihydro-5H-dibenzo(b,g)thiocin dimaleate hemihydrate

There total 12 articles about 3-Chloro-5-(4-methylpiperazino)-6,7-dihydro-5H-dibenzo(b,g)thiocin dimaleate hemihydrate 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:

: 13421-00-6
5-chloro-2-iodo-benzoic acid

: 74801-58-4
1-(3-Chloro-6,7-dihydro-5H-12-thia-dibenzo[a,d]cycloocten-5-yl)-4-methyl-piperazine; compound with (Z)-but-2-enedioic acid

Guidance literature:: Multi-step reaction with 7 steps

1: 48 percent / KOH, Cu / H₂O / 7 h / Heating

2: 70 percent / H₂SO₄ / 20 h / Heating

3: 1) K, tert-butyl alcohol; 2) aq. HCl / 1) xylene, 52 h, reflux; 2) ethanol, 3 h, reflux

4: 100 percent / NaBH₄, 5percent NaOH / dioxane; H₂O / 0.5 h

5: 6.5 g / SOCl₂ / 1) 6 h, room temp.; 2) 1 h, reflux, then room temp. overnight

6: 66 percent / 48 h / Heating

7: ethanol

With hydrogenchloride; potassium hydroxide; sodium hydroxide; sodium tetrahydroborate; thionyl chloride; sulfuric acid; copper; tert-butyl alcohol; In 1,4-dioxane; ethanol; water;
DOI:10.1135/cccc19800491

Reference yield:

: 74801-46-0
3-(2-mercapto-phenyl)-propionic acid

: 74801-58-4
1-(3-Chloro-6,7-dihydro-5H-12-thia-dibenzo[a,d]cycloocten-5-yl)-4-methyl-piperazine; compound with (Z)-but-2-enedioic acid

Guidance literature:: Multi-step reaction with 7 steps

1: 48 percent / KOH, Cu / H₂O / 7 h / Heating

2: 70 percent / H₂SO₄ / 20 h / Heating

3: 1) K, tert-butyl alcohol; 2) aq. HCl / 1) xylene, 52 h, reflux; 2) ethanol, 3 h, reflux

4: 100 percent / NaBH₄, 5percent NaOH / dioxane; H₂O / 0.5 h

5: 6.5 g / SOCl₂ / 1) 6 h, room temp.; 2) 1 h, reflux, then room temp. overnight

6: 66 percent / 48 h / Heating

7: ethanol

With hydrogenchloride; potassium hydroxide; sodium hydroxide; sodium tetrahydroborate; thionyl chloride; sulfuric acid; copper; tert-butyl alcohol; In 1,4-dioxane; ethanol; water;
DOI:10.1135/cccc19800491

Reference yield:

: 251452-62-7
3-{2-[2-(2-Carboxy-ethyl)-phenyldisulfanyl]-phenyl}-propionic acid

: 74801-58-4
1-(3-Chloro-6,7-dihydro-5H-12-thia-dibenzo[a,d]cycloocten-5-yl)-4-methyl-piperazine; compound with (Z)-but-2-enedioic acid

Guidance literature:: Multi-step reaction with 8 steps

1: Zn / acetic acid / 4 h / Heating

2: 48 percent / KOH, Cu / H₂O / 7 h / Heating

3: 70 percent / H₂SO₄ / 20 h / Heating

4: 1) K, tert-butyl alcohol; 2) aq. HCl / 1) xylene, 52 h, reflux; 2) ethanol, 3 h, reflux

5: 100 percent / NaBH₄, 5percent NaOH / dioxane; H₂O / 0.5 h

6: 6.5 g / SOCl₂ / 1) 6 h, room temp.; 2) 1 h, reflux, then room temp. overnight

7: 66 percent / 48 h / Heating

8: ethanol

With hydrogenchloride; potassium hydroxide; sodium hydroxide; sodium tetrahydroborate; thionyl chloride; sulfuric acid; copper; zinc; tert-butyl alcohol; In 1,4-dioxane; ethanol; water; acetic acid;
DOI:10.1135/cccc19800491