(E)-3-(6,11-Dihydrodibenzo(b,e)thiepin-11-ylidene)propionic acid S,S-dioxide

Base Information

Chemical Name:(E)-3-(6,11-Dihydrodibenzo(b,e)thiepin-11-ylidene)propionic acid S,S-dioxide
CAS No.:112930-64-0
Molecular Formula:C₁₇H₁₄O₄S
Molecular Weight:314.362
Hs Code.:
Nikkaji Number:J316.127G

Synonyms:BRN 3621434;(E)-3-(6,11-Dihydrodibenzo(b,e)thiepin-11-ylidene)propionic acid S,S-dioxide;Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S,S-dioxide, (E)-;112930-64-0;LS-121344;(E)-3-[(6,11-Dihydrodibenzo[b,e]thiepin 5,5-dioxide)-11-ylidene]propionic acid

Suppliers and Price of (E)-3-(6,11-Dihydrodibenzo(b,e)thiepin-11-ylidene)propionic acid S,S-dioxide

Supply Marketing:

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

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Chemical Property of (E)-3-(6,11-Dihydrodibenzo(b,e)thiepin-11-ylidene)propionic acid S,S-dioxide

Chemical Property:

Vapor Pressure:5.15E-16mmHg at 25°C
Boiling Point:615.6°Cat760mmHg
Flash Point:326.1°C
Density:1.437g/cm³
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:314.06128010
Heavy Atom Count:22
Complexity:558

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2=CC=CC=C2C(=CCC(=O)O)C3=CC=CC=C3S1(=O)=O
Isomeric SMILES:C1C2=CC=CC=C2/C(=C\CC(=O)O)/C3=CC=CC=C3S1(=O)=O

Technology Process of (E)-3-(6,11-Dihydrodibenzo(b,e)thiepin-11-ylidene)propionic acid S,S-dioxide

There total 8 articles about (E)-3-(6,11-Dihydrodibenzo(b,e)thiepin-11-ylidene)propionic acid S,S-dioxide 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: 89.0%

: 112930-58-2
(E)-3-(6,11-dihydrodibenzothiepin-11-ylidene)propionic acid

: 112930-64-0
(E)-11-(2-Carboxyethylidene)-6,11-dihydrodibenzothiepin 5,5-Dioxide

Guidance literature:: With dihydrogen peroxide; In acetic acid; for 3h; Heating;

Reference yield:

: 1531-77-7
dibenzo[b,e]thiepin-11(6H)-one

: 112930-64-0
(E)-11-(2-Carboxyethylidene)-6,11-dihydrodibenzothiepin 5,5-Dioxide

Guidance literature:: Multi-step reaction with 5 steps

1: 1) Mg / in THF

2: 94 percent / HBr / acetic acid / 1 h / 15 °C

3: 80 percent / tetrahydrofuran; ethanol; H₂O / 1.5 h / Ambient temperature

4: aq. KOH / ethanol / 3.5 h / Heating

5: 89 percent / 30percent H₂O₂ / acetic acid / 3 h / Heating

With potassium hydroxide; hydrogen bromide; dihydrogen peroxide; magnesium; In tetrahydrofuran; ethanol; water; acetic acid;

Reference yield:

: 112930-52-6
6,11-Dihydro-11-vinyldibenzothiepin-11-ol

: 112930-64-0
(E)-11-(2-Carboxyethylidene)-6,11-dihydrodibenzothiepin 5,5-Dioxide

Guidance literature:: Multi-step reaction with 4 steps

1: 94 percent / HBr / acetic acid / 1 h / 15 °C

2: 80 percent / tetrahydrofuran; ethanol; H₂O / 1.5 h / Ambient temperature

3: aq. KOH / ethanol / 3.5 h / Heating

4: 89 percent / 30percent H₂O₂ / acetic acid / 3 h / Heating

With potassium hydroxide; hydrogen bromide; dihydrogen peroxide; In tetrahydrofuran; ethanol; water; acetic acid;