Dibenz(b,f)imidazo(1,2-d)(1,4)thiazepine

Base Information

• Chemical Name: Dibenz(b,f)imidazo(1,2-d)(1,4)thiazepine
• CAS No.: 62538-84-5
• Molecular Formula: C15H10N2S
• Molecular Weight: 250.3183
• DSSTox Substance ID: DTXSID90211587
• Nikkaji Number: J72.788A
• Wikidata: Q83086545
• Mol file: 62538-84-5.mol

Synonyms:Dibenz(b,f)imidazo(1,2-d)(1,4)thiazepine;62538-84-5;BRN 1077886;Dibenz[b,f]imidazo[1,2-d][1,4]thiazepine;Imidazo(1,2-d)dibenzo(b,f)thiazepine-1,4 [French];Imidazo(1,2-d)dibenzo(b,f)thiazepine-1,4;C15H10N2S;DTXSID90211587;C15-H10-N2-S;LS-60579

Chemical Property of Dibenz(b,f)imidazo(1,2-d)(1,4)thiazepine

Chemical Property:

• Vapor Pressure: 5.49E-10mmHg at 25°C
• Boiling Point: 496.3°Cat760mmHg
• Flash Point: 253.9°C
• PSA: 43.12000
• Density: 1.31g/cm³
• LogP: 4.00390
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 250.05646950
• Heavy Atom Count: 18
• Complexity: 309

Purity/Quality:

99% ^*data from raw suppliers

DIBENZ[B,F]IMIDAZO-[1,2-D]-[1,4]-THIAZEPINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=NC=CN3C4=CC=CC=C4S2

Technology Process of Dibenz(b,f)imidazo(1,2-d)(1,4)thiazepine

There total 3 articles about Dibenz(b,f)imidazo(1,2-d)(1,4)thiazepine 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:

11-chloro-dibenzo[b,f][1,4]thiazepine (13745-86-3) → Imidazo<1,2-d>dibenzothiazepin-1,4 (62538-84-5)

Guidance literature:

Multi-step reaction with 2 steps

2: aq. acetic acid / Heating

In acetic acid;

Reference yield:

Propargylamine (2450-71-7) + dibenzo[b,f][1,4]thiazepin-11-yl-(2,2-dimethoxy-ethyl)-amine (62538-93-6) → Imidazo<1,2-d>dibenzothiazepin-1,4 (62538-84-5)

Guidance literature:

In acetic acid; Heating;

Reference yield:

→ Imidazo<1,2-d>dibenzothiazepin-1,4 (62538-84-5)

Guidance literature:

Amidin II;

upstream raw materials:

Propargylamine

dibenzo[b,f][1,4]thiazepin-11-yl-(2,2-dimethoxy-ethyl)-amine

11-chloro-dibenzo[b,f][1,4]thiazepine

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