(3E)-3-(2-methyl-6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid

Base Information

Chemical Name:(3E)-3-(2-methyl-6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid
CAS No.:112930-60-6
Molecular Formula:C₁₈H₁₆O₂S
Molecular Weight:296.39
Hs Code.:
Mol file:112930-60-6.mol

Synonyms:112930-60-6;(3E)-3-(2-methyl-6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid;(E)-3-(2-Methyl-6,11-dihydrodibenzo(b,e)thiepin-11-ylidene)propionic a cid;(E)-3-(2-Methyl-6,11-dihydrodibenzo(b,e)thiepin-11-ylidene)propionic acid;Propanoic acid, 3-(2-methyldibenzo(b,e)thiepin-11(6H)-ylidene)-, (E)-

Suppliers and Price of (3E)-3-(2-methyl-6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid

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
(E)-3-(2-METHYL-6,11-DIHYDRODIBENZO(B,E)THIEPIN-11-YLIDENE)PROPIONIC A CID 95.00%
5MG
$ 500.29

Total 1 raw suppliers

Chemical Property of (3E)-3-(2-methyl-6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid

Chemical Property:

Vapor Pressure:1.43E-11mmHg at 25°C
Boiling Point:518.3°Cat760mmHg
Flash Point:267.3°C
PSA：62.60000
Density:1.3g/cm³
LogP:4.50710
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:296.08710092
Heavy Atom Count:21
Complexity:417

Purity/Quality:: (E)-3-(2-METHYL-6,11-DIHYDRODIBENZO(B,E)THIEPIN-11-YLIDENE)PROPIONIC A CID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC2=C(C=C1)SCC3=CC=CC=C3C2=CCC(=O)O
Isomeric SMILES:CC1=CC\2=C(C=C1)SCC3=CC=CC=C3/C2=C\CC(=O)O

Technology Process of (3E)-3-(2-methyl-6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid

There total 2 articles about (3E)-3-(2-methyl-6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid 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:

: 112930-57-1
3-(2-methyl-6,11-dihydrodibenzothiepin-11-ylidene)propionitrile

: 112930-61-7
(Z)-3-(2-methyl-6,11-dihydrodibenzothiepin-11-ylidene)propionic acid

: 112930-60-6
(E)-3-(2-methyl-6,11-dihydrodibenzothiepin-11-ylidene)propionic acid

Guidance literature:: With potassium hydroxide; In ethanol; for 6h; Title compound not separated from byproducts; Heating;

Reference yield:

: 5202-11-9
2-methyldibenzothiepin-11(6H)-one

: 112930-60-6
(E)-3-(2-methyl-6,11-dihydrodibenzothiepin-11-ylidene)propionic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 1) Mg / in THF

2: 74 percent / HBr / acetic acid

3: 79 percent / dimethylformamide / 1) 0-5 deg C, 4 h; 2) 14 h, room temp.

4: aq. KOH / ethanol / 6 h / Heating

With potassium hydroxide; hydrogen bromide; magnesium; In ethanol; acetic acid; N,N-dimethyl-formamide;

Reference yield:

: 112930-60-6
(E)-3-(2-methyl-6,11-dihydrodibenzothiepin-11-ylidene)propionic acid

: 112930-70-8
3-(2-methyl-6,11-dihydrodibenzothiepin-11-ylidene)propionamide

Guidance literature:: Multi-step reaction with 2 steps

1: 94 percent / SOCl₂ / benzene / 3 h / Heating

2: 57 percent / NH₃ / CHCl₃

With thionyl chloride; ammonia; In chloroform; benzene;