6-(1-(4-Carboxyphenyl)-1E-propen-2-yl)-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran

Base Information

Chemical Name:6-(1-(4-Carboxyphenyl)-1E-propen-2-yl)-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran
CAS No.:91587-07-4
Molecular Formula:C21H22O2S
Molecular Weight:338.47
Hs Code.:
Nikkaji Number:J558.696H
Pharos Ligand ID:RANHJPCMAT25
ChEMBL ID:CHEMBL39344

Synonyms:CCRIS 3299;CHEMBL39344;91587-07-4;6-(1-(4-Carboxyphenyl)-1E-propen-2-yl)-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran;6-[1-(4-CARBOXYPHENYL)-1E-PROPEN-2-YL]-3,4-DIHYDRO-4,4-DIMETHYL-2H-1-BENZOTHIOPYRAN;4-[2-(4,4-Dimethyl-thiochroman-6-yl)-propenyl]-benzoic acid;SCHEMBL3316404;SCHEMBL3316409;BDBM50045266;4-[(E)-2-(4,4-Dimethyl-thiochroman-6-yl)-propenyl]-benzoic acid;4-[(E)-2-[(3,4-Dihydro-4,4-dimethyl-2H-1-benzothiopyran)-6-yl]-1-propenyl]benzoic acid

Suppliers and Price of 6-(1-(4-Carboxyphenyl)-1E-propen-2-yl)-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran

Supply Marketing:

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

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Chemical Property of 6-(1-(4-Carboxyphenyl)-1E-propen-2-yl)-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran

Chemical Property:

Vapor Pressure:5.08E-11mmHg at 25°C
Boiling Point:505°Cat760mmHg
Flash Point:259.2°C
Density:1.168g/cm³
XLogP3:6.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:338.13405111
Heavy Atom Count:24
Complexity:488

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=CC1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)SCCC3(C)C
Isomeric SMILES:C/C(=C\C1=CC=C(C=C1)C(=O)O)/C2=CC3=C(C=C2)SCCC3(C)C

Technology Process of 6-(1-(4-Carboxyphenyl)-1E-propen-2-yl)-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran

There total 9 articles about 6-(1-(4-Carboxyphenyl)-1E-propen-2-yl)-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran 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: 75.0%

: 88579-35-5
ethyl p-[(E)-2-(3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)propenyl] benzoate

: 91587-07-4
4,4-dimethyl-6-<(E)-1-(4-carboxyphenyl)-1-propen-2-yl>-3,4-dihydro-2H-1-benzothiopyran

Guidance literature:: With potassium hydroxide; In ethanol; for 0.666667h; Heating;
DOI:10.1021/jm00377a022

Reference yield:

: 88579-23-1
3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl methyl ketone

: 91587-07-4
4,4-dimethyl-6-<(E)-1-(4-carboxyphenyl)-1-propen-2-yl>-3,4-dihydro-2H-1-benzothiopyran

Guidance literature:: Multi-step reaction with 2 steps

1: 62 percent / NaH, 15-crown-5 / tetrahydrofuran / 17 h / Ambient temperature

2: 75 percent / aq. KOH / ethanol / 0.67 h / Heating

With potassium hydroxide; 15-crown-5; sodium hydride; In tetrahydrofuran; ethanol;
DOI:10.1021/jm00377a022

Reference yield:

: 108-98-5
thiophenol

: 91587-07-4
4,4-dimethyl-6-<(E)-1-(4-carboxyphenyl)-1-propen-2-yl>-3,4-dihydro-2H-1-benzothiopyran

Guidance literature:: Multi-step reaction with 5 steps

1: 1.) NaH / 1.) THF, 0 deg C, 40 min, 2.) THF, a) 0 deg C, 45 min, b) 0 deg C to RT, 1.25 h

2: 52 percent / SnCl₄ / CH₂Cl₂ / 1.) 0-5 deg C, 20 min, 2.) RT, 20 h

3: 83 percent / AlCl₃ / CS₂ / 2.25 h / Ambient temperature

4: 62 percent / NaH, 15-crown-5 / tetrahydrofuran / 17 h / Ambient temperature

5: 75 percent / aq. KOH / ethanol / 0.67 h / Heating

With potassium hydroxide; aluminium trichloride; 15-crown-5; tin(IV) chloride; sodium hydride; In tetrahydrofuran; carbon disulfide; ethanol; dichloromethane;
DOI:10.1021/jm00377a022