1-(3,4-dichlorophenyl)-3-[(2Z)-5-phenyl-1,3,4-thiadiazol-2(3H)-ylidene]urea

Base Information

• Chemical Name: 1-(3,4-dichlorophenyl)-3-[(2Z)-5-phenyl-1,3,4-thiadiazol-2(3H)-ylidene]urea
• CAS No.: 6073-08-1
• Molecular Formula: C15H10Cl2N4OS
• Molecular Weight: 365.2371
• DSSTox Substance ID: DTXSID90976200
• Wikidata: Q82961019
• ChEMBL ID: CHEMBL2426198

Synonyms:6073-08-1;61516-50-5;CBMicro_010260;Oprea1_818107;CHEMBL2426198;SCHEMBL11875081;DTXSID90976200;SMSF0013209;STL044493;AKOS005698219;AKOS030517583;CB13204;1-(3,4-dichlorophenyl)-3-[(2Z)-5-phenyl-1,3,4-thiadiazol-2(3H)-ylidene]urea;BIM-0010388.P001;N'-(3,4-Dichlorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2(3H)-ylidene)carbamimidic acid

Chemical Property of 1-(3,4-dichlorophenyl)-3-[(2Z)-5-phenyl-1,3,4-thiadiazol-2(3H)-ylidene]urea

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.554g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 363.9952375
• Heavy Atom Count: 23
• Complexity: 411

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl

Technology Process of 1-(3,4-dichlorophenyl)-3-[(2Z)-5-phenyl-1,3,4-thiadiazol-2(3H)-ylidene]urea

There total 2 articles about 1-(3,4-dichlorophenyl)-3-[(2Z)-5-phenyl-1,3,4-thiadiazol-2(3H)-ylidene]urea 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: 90.0%

C21H26Br2O2Si → 3,5-Dibromobisphenol A (6073-08-1)

Guidance literature:

With tetrabutyl ammonium fluoride;

Reference yield:

BPA (80-05-7) → 3,5-Dibromobisphenol A (6073-08-1)

Guidance literature:

Multi-step reaction with 2 steps

1: bromine / ethanol / 3 h / 20 °C / Cooling with ice

2: tetrabutyl ammonium fluoride

With tetrabutyl ammonium fluoride; bromine; In ethanol;

Reference yield:

3,5-Dibromobisphenol A (6073-08-1) + C19H26B2O4S2 → C45H42Br2O4S2

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In tetrahydrofuran; at 65 ℃; for 18h; Inert atmosphere; Reflux;

upstream raw materials:

BPA

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