Butyl (6,11-dihydrodibenzo(b,e)thiepin-11-yl)carbamate

Base Information

• Chemical Name: Butyl (6,11-dihydrodibenzo(b,e)thiepin-11-yl)carbamate
• CAS No.: 74797-20-9
• Molecular Formula: C₁₉H₂₁NO₂S
• Molecular Weight: 327.447
• DSSTox Substance ID: DTXSID60996314
• Mol file: 74797-20-9.mol

Synonyms:BRN 4529085;74797-20-9;VUFB-12448;Butyl (6,11-dihydrodibenzo(b,e)thiepin-11-yl)carbamate;butyl N-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)carbamate;Carbamic acid, (6,11-dihydrodibenzo(b,e)thiepin-11-yl)-, butyl ester;butyl 6,11-dihydrodibenzo[b,e]thiepin-11-ylcarbamate;DTXSID60996314;GPRPFWCWWJJDRC-UHFFFAOYSA-N;AKOS005066065;LS-49347;AE-641/30116064;Butyl hydrogen 6,11-dihydrodibenzo[b,e]thiepin-11-ylcarbonimidate

Chemical Property of Butyl (6,11-dihydrodibenzo(b,e)thiepin-11-yl)carbamate

Chemical Property:

• Vapor Pressure: 3.42E-09mmHg at 25°C
• Boiling Point: 475.1°Cat760mmHg
• Flash Point: 241.1°C
• PSA: 67.12000
• Density: 1.21g/cm³
• LogP: 5.11240
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 327.12930009
• Heavy Atom Count: 23
• Complexity: 390

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)NC1C2=CC=CC=C2CSC3=CC=CC=C13

Technology Process of Butyl (6,11-dihydrodibenzo(b,e)thiepin-11-yl)carbamate

There total 1 articles about Butyl (6,11-dihydrodibenzo(b,e)thiepin-11-yl)carbamate 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: 95.0%

6,11-dihydrodibenzo[b,e]thiepin-11-ol (1745-46-6) + butyl carbamate (592-35-8) → (5,11-Dihydro-10-thia-dibenzo[a,d]cyclohepten-5-yl)-carbamic acid butyl ester (74797-20-9)

Guidance literature:

With toluene-4-sulfonic acid; In acetic acid; 1) 37 deg C, 6h; 2) room temp., overnight;

DOI:10.1135/cccc19800517

upstream raw materials:

6,11-dihydrodibenzo[b,e]thiepin-11-ol

butyl carbamate