3,4-Dihydro-6-methyl-2H-1-benzothiopyran

Base Information

• Chemical Name: 3,4-Dihydro-6-methyl-2H-1-benzothiopyran
• CAS No.: 71153-74-7
• Molecular Formula: C10H12 S
• Molecular Weight: 164.271
• European Community (EC) Number: 275-221-0
• UNII: WXN8ZSD6NL
• DSSTox Substance ID: DTXSID70221346
• Nikkaji Number: J25.396K
• Wikidata: Q83099082
• Mol file: 71153-74-7.mol

Synonyms:3,4-Dihydro-6-methyl-2H-1-benzothiopyran;71153-74-7;WXN8ZSD6NL;UNII-WXN8ZSD6NL;EINECS 275-221-0;6-Methylthiochroman;THIOCHROMAN, 6-METHYL-;SCHEMBL11339018;DTXSID70221346;NS00037158;2H-1-Benzothiopyran, 3,4-dihydro-6-methyl-

Chemical Property of 3,4-Dihydro-6-methyl-2H-1-benzothiopyran

Chemical Property:

• Vapor Pressure: 0.0162mmHg at 25°C
• Boiling Point: 264.1°C at 760 mmHg
• Flash Point: 109.2°C
• PSA: 25.30000
• Density: 1.08g/cm³
• LogP: 3.03330
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 164.06597156
• Heavy Atom Count: 11
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)SCCC2

Technology Process of 3,4-Dihydro-6-methyl-2H-1-benzothiopyran

There total 6 articles about 3,4-Dihydro-6-methyl-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: 9.0%

γ-chloropropyl 4-methylphenyl sulphide (3147-30-6) → 6-Methyl-3,4-dihydro-2H-1-benzothiopyran (71153-74-7) + 4-methylphenyl propyl sulfide (24599-52-8) + para-thiocresol (106-45-6)

Guidance literature:

aluminium trichloride; In carbon disulfide; for 3h; Heating;

Reference yield:

para-thiocresol (106-45-6) + trimethyleneglycol (504-63-2) → 6-Methyl-3,4-dihydro-2H-1-benzothiopyran (71153-74-7) + 6-methyl-2H-1-benzothiopyran (13735-28-9)

Guidance literature:

With scandium tris(trifluoromethanesulfonate); at 165 ℃; for 16h; Overall yield = 71 percent; Green chemistry;

DOI:10.1055/s-0040-1720350

Reference yield:

3-[(4-methylphenyl)thio]propionic acid (13739-35-0) → 6-Methyl-3,4-dihydro-2H-1-benzothiopyran (71153-74-7)

Guidance literature:

With sulfuric acid; at 20 ℃; for 12h;

DOI:10.14233/ajchem.2013.13185

upstream raw materials:

γ-chloropropyl 4-methylphenyl sulphide

3-[(4-methylphenyl)thio]propionic acid

para-thiocresol

trimethyleneglycol

Downstream raw materials:

6-methylthiochroman-S,S-dioxide

2-[2-(6-methylthiochroman-4-ylidene)hydrazinyl]-5-phenylthiazole