3,4-Dihydro-8-(oxiranylmethoxy)-2H-1-benzothiopyran

Base Information

• Chemical Name: 3,4-Dihydro-8-(oxiranylmethoxy)-2H-1-benzothiopyran
• CAS No.: 85392-02-5
• Molecular Formula: C12H14 O2 S
• Molecular Weight: 222.308
• European Community (EC) Number: 286-859-4
• DSSTox Substance ID: DTXSID201005877
• Nikkaji Number: J310.397H
• Mol file: 85392-02-5.mol

Synonyms:85392-02-5;3,4-Dihydro-8-(oxiranylmethoxy)-2H-1-benzothiopyran;EINECS 286-859-4;2-(3,4-dihydro-2H-thiochromen-8-yloxymethyl)oxirane;SCHEMBL7336446;8-(2,3-epoxypropoxy)thiochroman;DTXSID201005877;8-(2,3-epoxy propyloxy) thiochroman;NS00064064;2-{[(3,4-Dihydro-2H-1-benzothiopyran-8-yl)oxy]methyl}oxirane

Chemical Property of 3,4-Dihydro-8-(oxiranylmethoxy)-2H-1-benzothiopyran

Chemical Property:

• Vapor Pressure: 2.74E-05mmHg at 25°C
• Boiling Point: 368.2°C at 760 mmHg
• Flash Point: 176.5°C
• PSA: 47.06000
• Density: 1.234g/cm³
• LogP: 2.50250
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 222.07145086
• Heavy Atom Count: 15
• Complexity: 222

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C(=CC=C2)OCC3CO3)SC1

Technology Process of 3,4-Dihydro-8-(oxiranylmethoxy)-2H-1-benzothiopyran

There total 2 articles about 3,4-Dihydro-8-(oxiranylmethoxy)-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: 86.0%

8-hydroxy-thiochroman (30073-50-8) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → 8-(2,3-epoxypropoxy)-3,4-dihydro-4H-benzothiopyran (85392-02-5)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 60 ℃; for 1h;

Reference yield: 62.0%

8-hydroxy-thiochroman (30073-50-8) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → 8-(3-isopropylamino-2-hydroxy propyloxy) thiochroman (34784-62-8) + 8-(2,3-epoxypropoxy)-3,4-dihydro-4H-benzothiopyran (85392-02-5)

Guidance literature:

In water;

Reference yield: 88.0%

2-hydroxyphenylpiperazine (1011-17-2) + 8-(2,3-epoxypropoxy)-3,4-dihydro-4H-benzothiopyran (85392-02-5) → 2-{4-[2-hydroxy-3-(thiochroman-8-yloxy)-propyl]-piperazin-1-yl}-phenol (667905-10-4)

Guidance literature:

In tetrahydrofuran; for 18h; Heating;

upstream raw materials:

8-hydroxy-thiochroman

epichlorohydrin

Downstream raw materials:

2-{4-[2-hydroxy-3-(thiochroman-8-yloxy)-propyl]-piperazin-1-yl}-phenol

tertatolol

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