(Z)-2,3-Dihydro-3-((4-methoxyphenyl)methylene)-4H-1-benzothiopyran-4-one

Base Information

• Chemical Name: (Z)-2,3-Dihydro-3-((4-methoxyphenyl)methylene)-4H-1-benzothiopyran-4-one
• CAS No.: 101017-54-3
• Molecular Formula: C₁₇H₁₄O₂S
• Molecular Weight: 282.363
• Nikkaji Number: J938.668H,J2.487.175D
• Wikidata: Q76324362
• Mol file: 101017-54-3.mol

Synonyms:(Z)-2,3-Dihydro-3-((4-methoxyphenyl)methylene)-4H-1-benzothiopyran-4-one;101017-54-3;(3Z)-3-[(4-methoxyphenyl)methylidene]thiochromen-4-one;4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-((4-methoxyphenyl)methylene)-, (Z)-;SCHEMBL13299422;HMS1667O21;CCG-248082;LS-41416;(3Z)-3-[(4-methoxyphenyl)methylene]thiochroman-4-one;3-(4-Methoxybenzylidene)-2H-1-benzothiopyran-4(3H)-one;3-[(Z)-4-Methoxybenzylidene]-3,4-dihydro-2H-1-benzothiopyran-4-one;4H-1-benzothiopyran-4-one, 2,3-dihydro-3-[(4-methoxyphenyl)methylene]-, (3Z)-

Chemical Property of (Z)-2,3-Dihydro-3-((4-methoxyphenyl)methylene)-4H-1-benzothiopyran-4-one

Chemical Property:

• Vapor Pressure: 2.74E-09mmHg at 25°C
• Boiling Point: 477.7°C at 760 mmHg
• Flash Point: 244.1°C
• Density: 1.26g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 282.07145086
• Heavy Atom Count: 20
• Complexity: 383

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C=C2CSC3=CC=CC=C3C2=O
• Isomeric SMILES: COC1=CC=C(C=C1)/C=C/2\CSC3=CC=CC=C3C2=O

Technology Process of (Z)-2,3-Dihydro-3-((4-methoxyphenyl)methylene)-4H-1-benzothiopyran-4-one

There total 3 articles about (Z)-2,3-Dihydro-3-((4-methoxyphenyl)methylene)-4H-1-benzothiopyran-4-one 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: 92.0%

C17H16O3S → (Z)-3-(4-methoxy-benzylidene)-thiochroman-4-one (74074-07-0,135521-82-3,101017-54-3)

Guidance literature:

With trifluoroacetic anhydride; In dichloromethane; for 1h; Heating;

DOI:10.1248/cpb.55.1274

Reference yield: 91.0%

2,3-dihydro-4H-[1]benzothiopyran-4-one (3528-17-4) + 4-methoxy-benzaldehyde (123-11-5) → (Z)-3-(4-methoxy-benzylidene)-thiochroman-4-one (74074-07-0,135521-82-3,101017-54-3)

Guidance literature:

With sulfuric acid; In acetic acid; at 20 ℃; for 0.333333h;

Reference yield: 75.0%

(3R*,αR*)-3-bromo-3-(α-bromo-4-methoxybenzyl)-1-thiochromanone → (Z)-3-(4-methoxy-benzylidene)-thiochroman-4-one (74074-07-0,135521-82-3,101017-54-3) + 3-(α-azido-4-methoxybenzyl)-1-thiochromone

Guidance literature:

With sodium azide; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

DOI:10.1016/S0040-4020(01)00142-9

upstream raw materials:

2,3-dihydro-4H-[1]benzothiopyran-4-one

4-methoxy-benzaldehyde

Downstream raw materials:

3-(4'-methoxybenzylidene)thiochroman-4-one-1-oxide

3-Methoxy-1-(4-methoxy-phenyl)-10H-9-thia-4-aza-phenanthrene-2-carbonitrile

2-amino-4-(4-methoxyphenyl)-4H,5H-<1>benzothiopyrano<4,3-b>pyran-3-carbonitrile

4-(4-methoxyphenyl)-3,4-dihydro-1H-thiochromeno[4,3-d]pyrimidine-2(5H)-thione