1,5-Benzothiazepin-4(5H)one, 2,3-dihydro-7-methyl-, 1,1-dioxide

Base Information

• Chemical Name: 1,5-Benzothiazepin-4(5H)one, 2,3-dihydro-7-methyl-, 1,1-dioxide
• CAS No.: 3648-94-0
• Molecular Formula: C10H11NO3S
• Molecular Weight: 225.2642
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40189989
• Nikkaji Number: J49.123C
• Wikidata: Q83062228
• Mol file: 3648-94-0.mol

Synonyms:3648-94-0;1,5-Benzothiazepin-4(5H)one, 2,3-dihydro-7-methyl-, 1,1-dioxide;BRN 0984428;2,3-Dihydro-7-methyl-1,5-benzothiazepin-4-(5H)-one,1,1-dioxide;DTXSID40189989

Chemical Property of 1,5-Benzothiazepin-4(5H)one, 2,3-dihydro-7-methyl-, 1,1-dioxide

Chemical Property:

• Vapor Pressure: 7.48E-10mmHg at 25°C
• Boiling Point: 492.7°Cat760mmHg
• PKA: 12.86±0.20(Predicted)
• Flash Point: 251.8°C
• PSA: 75.11000
• Density: 1.329g/cm³
• LogP: 2.27680
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 225.04596439
• Heavy Atom Count: 15
• Complexity: 357

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)S(=O)(=O)CCC(=O)N2

Technology Process of 1,5-Benzothiazepin-4(5H)one, 2,3-dihydro-7-methyl-, 1,1-dioxide

There total 3 articles about 1,5-Benzothiazepin-4(5H)one, 2,3-dihydro-7-methyl-, 1,1-dioxide 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:

6-methyl-1,1-dioxothiochroman-4-one (56605-49-3) → 7-Methyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-on-1,1-dioxid (3648-94-0)

Guidance literature:

With tris-(2-chloro-ethyl)-amine; sulfuric acid; In benzene;

Reference yield:

7-methyl-2,3-dihydro-5H-benzo[b][1,4]thiazepin-4-one (27943-30-2) → 7-Methyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-on-1,1-dioxid (3648-94-0)

Guidance literature:

With dihydrogen peroxide; In acetic acid;

Reference yield:

→ 7-Methyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-on-1,1-dioxid (3648-94-0)

Guidance literature:

6-Methyl-thiochroman-4-on-1,1-dioxid, NaN3/H2SO4(konz.);

DOI:10.1039/jr9650004806

upstream raw materials:

6-methyl-1,1-dioxothiochroman-4-one

7-methyl-2,3-dihydro-5H-benzo[b][1,4]thiazepin-4-one

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