2H-1-Benzothiopyran-4-carboxylic acid, 3,4-dihydro-

Base Information

• Chemical Name: 2H-1-Benzothiopyran-4-carboxylic acid, 3,4-dihydro-
• CAS No.: 80858-99-7
• Molecular Formula: C₁₀H₁₀O₂S
• Molecular Weight: 194.254
• Mol file: 80858-99-7.mol

Synonyms:Thiochroman-4-carboxylic acid;

Chemical Property of 2H-1-Benzothiopyran-4-carboxylic acid, 3,4-dihydro-

Chemical Property:

• Melting Point: 78-80 °C
• Boiling Point: 354.7±41.0 °C(Predicted)
• PSA: 62.60000
• Density: 1.312±0.06 g/cm3(Predicted)
• LogP: 2.35060

Purity/Quality:

3,4-dihydro-2H-1-benzothiopyran-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2H-1-Benzothiopyran-4-carboxylic acid, 3,4-dihydro-

There total 3 articles about 2H-1-Benzothiopyran-4-carboxylic acid, 3,4-dihydro- 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: 71.0%

4-((Trimethylsilyl)oxy)thiochromane-4-carbonitrile (74187-62-5) → (R,S)-thiochroman-4-carboxylic acid (80858-99-7,112605-32-0)

Guidance literature:

With hydrogenchloride; acetic acid; tin(ll) chloride; Heating;

Reference yield:

2,3-dihydro-4H-[1]benzothiopyran-4-one (3528-17-4) + trimethylsilyl cyanide (7677-24-9) → (R,S)-thiochroman-4-carboxylic acid (80858-99-7,112605-32-0)

Guidance literature:

With tin(ll) chloride; zinc(II) iodide; Yield given. Multistep reaction; 1.) CH₂Cl₂, room temperature, 4 d, 2.) glacial acetic acid, HCl, reflux, 120 h;

DOI:10.1002/jps.2600761020

Reference yield:

2,3-dihydro-4H-[1]benzothiopyran-4-one (3528-17-4) → (R,S)-thiochroman-4-carboxylic acid (80858-99-7,112605-32-0)

Guidance literature:

Multi-step reaction with 2 steps

1: Lewis acid catalyst / Ambient temperature

2: 71 percent / stannous chloride decahydrate, glacial acetic acid, HCl (conc.) / Heating

With hydrogenchloride; Lewis acid catalyst; acetic acid; tin(ll) chloride;

upstream raw materials:

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

trimethylsilyl cyanide

4-((Trimethylsilyl)oxy)thiochromane-4-carbonitrile

Downstream raw materials:

diethyl (E)-cinnamyloxy(thiochroman-4-ylidene)methylphosphonate

N-(2-bromophenyl)-N-(methoxymethyl)thiochroman-4-carboxamide

N-benzyl-N-(2-bromophenyl)thiochroman-4-carboxamide

N-(2-bromophenyl)-N-methylthiochroman-4-carboxamide