Urea, 1-(2-chloroethyl)-3-(10-methylthio-9-oxo-1,2,3-trimethoxy-5,6,7,9-tetrahydrobenzo(a)heptalen-7-yl)-

Base Information

• Chemical Name: Urea, 1-(2-chloroethyl)-3-(10-methylthio-9-oxo-1,2,3-trimethoxy-5,6,7,9-tetrahydrobenzo(a)heptalen-7-yl)-
• CAS No.: 75776-08-8
• Molecular Formula: C₂₃H₂₇ClN₂O₅S
• Molecular Weight: 478.997
• Nikkaji Number: J68.338H
• ChEMBL ID: CHEMBL32140
• Mol file: 75776-08-8.mol

Synonyms:75776-08-8;NSC 249286;BRN 5659217;Urea, 1-(2-chloroethyl)-3-(10-methylthio-9-oxo-1,2,3-trimethoxy-5,6,7,9-tetrahydrobenzo(a)heptalen-7-yl)-;CHEMBL32140;1-(2-Chloroethyl)-3-[10-methylthio-9-oxo-1,2,3-trimethoxy-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]urea

Chemical Property of Urea, 1-(2-chloroethyl)-3-(10-methylthio-9-oxo-1,2,3-trimethoxy-5,6,7,9-tetrahydrobenzo(a)heptalen-7-yl)-

Chemical Property:

• Vapor Pressure: 2.23E-24mmHg at 25°C
• Boiling Point: 781.6°Cat760mmHg
• Flash Point: 426.5°C
• PSA: 111.19000
• Density: 1.32g/cm³
• LogP: 4.76860
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 478.1329208
• Heavy Atom Count: 32
• Complexity: 799

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)NCCCl)OC)OC

Technology Process of Urea, 1-(2-chloroethyl)-3-(10-methylthio-9-oxo-1,2,3-trimethoxy-5,6,7,9-tetrahydrobenzo(a)heptalen-7-yl)-

There total 1 articles about Urea, 1-(2-chloroethyl)-3-(10-methylthio-9-oxo-1,2,3-trimethoxy-5,6,7,9-tetrahydrobenzo(a)heptalen-7-yl)- 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: 52.0%

2-chloroethyl isothiocyanate (1943-83-5) + 7-amino-1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]-heptalen-9-one (2731-16-0) → N-deacetyl-N-<(2-chloroethyl)carbamoyl>methylthiocolchicine (75776-08-8)

Guidance literature:

In methanol; water; at 0 ℃; for 2h;

DOI:10.1021/jm00186a028

upstream raw materials:

2-chloroethyl isothiocyanate

7-amino-1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]-heptalen-9-one