N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-(2-chlorophenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxamide

Base Information

• Chemical Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-(2-chlorophenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxamide
• CAS No.: 5954-76-7
• Molecular Formula: C5H12 S2
• Molecular Weight: 576.089
• DSSTox Substance ID: DTXSID20409798
• Wikidata: Q82215778

Synonyms:5954-76-7;N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-(2-chlorophenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxamide;DTXSID20409798

Chemical Property of N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-(2-chlorophenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.48g/cm³
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 575.0852596
• Heavy Atom Count: 39
• Complexity: 832

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1N2C(=NN=C2SCC3=NC(=CS3)C(=O)NCC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6Cl

Technology Process of N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-(2-chlorophenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxamide

There total 7 articles about N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-(2-chlorophenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxamide 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:

syn-pentane-2,4-diyl bis(4-methylbenzenesulfonate) (24347-99-7) → threo-(2S,4R)-pentanedithiol (5954-76-7)

Guidance literature:

Multistep reaction; (i) KSAc, DMF, (ii) Zn-Hg, aq. HCl, EtOH;

DOI:10.1021/ja01038a050

Reference yield:

trans-3,5-dimethyl-1,2-dithiolane → (+/-)-2,4-pentanedithiol (4038-08-8,5953-46-8,5954-76-7,84799-98-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 60 ℃; for 2h;

DOI:10.1016/j.tetasy.2005.08.043

Reference yield:

2,4-pentanediol ditosylate → (+/-)-2,4-pentanedithiol (4038-08-8,5953-46-8,5954-76-7,84799-98-4)

Guidance literature:

Multistep reaction; (i) KSAc, DMF, (ii) Zn-Hg, aq. HCl, EtOH;

DOI:10.1021/ja01038a050

upstream raw materials:

syn-pentane-2,4-diyl bis(4-methylbenzenesulfonate)

(2R,4R)-pentanediol

acetylacetone

pentane-1,3-diol

Downstream raw materials:

rac-(1S,4S,6R)-4,6-dimethyl-1,3-dithiane 1-oxide

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