N-(4-Methoxy-6,11-dihydrodibenzo(b,e)thiepin-11-ylmethyl)acetamide

Base Information

Chemical Name:N-(4-Methoxy-6,11-dihydrodibenzo(b,e)thiepin-11-ylmethyl)acetamide
CAS No.:82394-15-8
Molecular Formula:C₁₈H₁₉NO₂S
Molecular Weight:313.42
Hs Code.:
DSSTox Substance ID:DTXSID201002659

Synonyms:BRN 4528616;N-(4-Methoxy-6,11-dihydrodibenzo(b,e)thiepin-11-ylmethyl)acetamide;Acetamide, N-((6,11-dihydro-4-methoxydibenzo(b,e)thiepin-11-yl)methyl)-;N-((6,11-Dihydro-4-methoxydibenzo(b,e)thiepin-11-yl)methyl)acetamide;82394-15-8;DTXSID201002659;LS-9191;N-[(4-Methoxy-6,11-dihydrodibenzo[b,e]thiepin-11-yl)methyl]ethanimidic acid

Suppliers and Price of N-(4-Methoxy-6,11-dihydrodibenzo(b,e)thiepin-11-ylmethyl)acetamide

Supply Marketing:

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

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Chemical Property of N-(4-Methoxy-6,11-dihydrodibenzo(b,e)thiepin-11-ylmethyl)acetamide

Chemical Property:

Vapor Pressure:1.77E-10mmHg at 25°C
Boiling Point:509°C at 760 mmHg
Flash Point:261.6°C
Density:1.172g/cm³
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:313.11365002
Heavy Atom Count:22
Complexity:389

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)NCC1C2=C(C(=CC=C2)OC)SCC3=CC=CC=C13

Technology Process of N-(4-Methoxy-6,11-dihydrodibenzo(b,e)thiepin-11-ylmethyl)acetamide

There total 13 articles about N-(4-Methoxy-6,11-dihydrodibenzo(b,e)thiepin-11-ylmethyl)acetamide 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: 67.0%

: 82394-03-4
11-(Aminomethyl)-4-methoxy-6,11-dihydrodibenzothiepin

: 75-36-5
acetyl chloride

: 82394-15-8
N-(4-Methoxy-6,11-dihydrodibenzothiepin-11-ylmethyl)-acetamide

Guidance literature:: With sodium carbonate; In benzene; for 4.5h; Heating;
DOI:10.1135/cccc19820984

Reference yield:

: 87-41-2
2-benzofuran-1(3H)-one

: 82394-15-8
N-(4-Methoxy-6,11-dihydrodibenzothiepin-11-ylmethyl)-acetamide

Guidance literature:: Multi-step reaction with 12 steps

1: 87 percent / K₂CO₃ / 0.08 h / 125 °C

2: 81 percent / P₂O₅, 85percent aq H₃PO₄ / toluene / 2 h / 100 °C / Heating

3: 92 percent / NaBH₄ / ethanol / 4 h / Heating

4: 94 percent / HCl,CaCl₂ / CCl₄ / 1.5 h / Ambient temperature

5: 72 percent / NaH / benzene / 1. 3 h reflux; 2. room temp., overnight

6: 79 percent / KOH / ethanol; H₂O / 6 h / Heating

7: 95 percent / Piperidine / pyridine / 2.5 h / Heating

8: 88 percent / SOCl₂ / benzene / 1. 60-70 deg C, 2.5 h; 2. 0.5 h reflux

9: 3.1 g / NaN₃ / acetone; H₂O

10: Heating

11: 62 percent / KOH / ethanol / 3 h / Heating

12: 67 percent / Na₂CO₃ / benzene / 4.5 h / Heating

With piperidine; hydrogenchloride; potassium hydroxide; sodium tetrahydroborate; thionyl chloride; sodium azide; phosphoric acid; phosphorus pentoxide; sodium hydride; sodium carbonate; potassium carbonate; calcium chloride; In pyridine; tetrachloromethane; ethanol; water; acetone; toluene; benzene;
DOI:10.1135/cccc19820984

Reference yield:

: 7217-59-6
2-Methoxybenzenethiol

: 82394-15-8
N-(4-Methoxy-6,11-dihydrodibenzothiepin-11-ylmethyl)-acetamide

Guidance literature:: Multi-step reaction with 12 steps

1: 87 percent / K₂CO₃ / 0.08 h / 125 °C

2: 81 percent / P₂O₅, 85percent aq H₃PO₄ / toluene / 2 h / 100 °C / Heating

3: 92 percent / NaBH₄ / ethanol / 4 h / Heating

4: 94 percent / HCl,CaCl₂ / CCl₄ / 1.5 h / Ambient temperature

5: 72 percent / NaH / benzene / 1. 3 h reflux; 2. room temp., overnight

6: 79 percent / KOH / ethanol; H₂O / 6 h / Heating

7: 95 percent / Piperidine / pyridine / 2.5 h / Heating

8: 88 percent / SOCl₂ / benzene / 1. 60-70 deg C, 2.5 h; 2. 0.5 h reflux

9: 3.1 g / NaN₃ / acetone; H₂O

10: Heating

11: 62 percent / KOH / ethanol / 3 h / Heating

12: 67 percent / Na₂CO₃ / benzene / 4.5 h / Heating

With piperidine; hydrogenchloride; potassium hydroxide; sodium tetrahydroborate; thionyl chloride; sodium azide; phosphoric acid; phosphorus pentoxide; sodium hydride; sodium carbonate; potassium carbonate; calcium chloride; In pyridine; tetrachloromethane; ethanol; water; acetone; toluene; benzene;
DOI:10.1135/cccc19820984