Leukotriene D-4 sulfone

Base Information

• Chemical Name: Leukotriene D-4 sulfone
• CAS No.: 82850-10-0
• Molecular Formula: C₂₅H₄₀N₂O₈S
• Molecular Weight: 528.667
• Mol file: 82850-10-0.mol

Synonyms:5(2)-hydroxy-6(R)-cysteinylglycinyl-7-9-trans-11,14-cis-eicosatetraenoic acid-S,S-dioxide;leukotriene D-4 sulfone

Chemical Property of Leukotriene D-4 sulfone

Chemical Property:

• Vapor Pressure: 2.63E-34mmHg at 25°C
• Boiling Point: 858.1°Cat760mmHg
• Flash Point: 472.8°C
• PSA: 195.96000
• Density: 1.217g/cm³
• LogP: 4.73030
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 20
• Exact Mass: 528.25053741
• Heavy Atom Count: 36
• Complexity: 888

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)S(=O)(=O)CC(C(=O)NCC(=O)O)N
• Isomeric SMILES: CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)S(=O)(=O)C[C@@H](C(=O)NCC(=O)O)N

Technology Process of Leukotriene D-4 sulfone

There total 3 articles about Leukotriene D-4 sulfone 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: 25.0%

leukotriene D4 (73836-78-9) → Leukotriene D4 sulfone (82850-10-0)

Guidance literature:

With potassium peroxomonosulfate;

DOI:10.1016/S0040-4039(00)87012-4

Reference yield:

(7E,9E,11Z)-(5S,6R)-6-[(R)-2-Amino-2-(carboxymethyl-carbamoyl)-ethanesulfonyl]-5-hydroxy-icosa-7,9,11-trien-14-ynoic acid (82850-17-7) → Leukotriene D4 sulfone (82850-10-0)

Guidance literature:

With hydrogen; Lindlar's catalyst;

DOI:10.1016/S0040-4039(00)87012-4

Reference yield:

(7E,9E,11Z)-(5S,6R)-6-[(R)-2-Amino-2-(carboxymethyl-carbamoyl)-ethylsulfanyl]-5-hydroxy-icosa-7,9,11-trien-14-ynoic acid (82850-14-4) → Leukotriene D4 sulfone (82850-10-0)

Guidance literature:

Multi-step reaction with 2 steps

1: KHSO₅

2: hydrogen / Lindlar catalyst

With potassium peroxomonosulfate; hydrogen; Lindlar's catalyst;

DOI:10.1016/S0040-4039(00)87012-4

upstream raw materials:

(7E,9E,11Z)-(5S,6R)-6-[(R)-2-Amino-2-(carboxymethyl-carbamoyl)-ethanesulfonyl]-5-hydroxy-icosa-7,9,11-trien-14-ynoic acid

leukotriene D4

(7E,9E,11Z)-(5S,6R)-6-[(R)-2-Amino-2-(carboxymethyl-carbamoyl)-ethylsulfanyl]-5-hydroxy-icosa-7,9,11-trien-14-ynoic acid