1-(1-(4-Bromophenyl)ethylidene)thiosemicarbazide

Base Information

• Chemical Name: 1-(1-(4-Bromophenyl)ethylidene)thiosemicarbazide
• CAS No.: 16546-06-8
• Molecular Formula: C9H10 Br N3 S
• Molecular Weight: 272.168
• NSC Number: 521067
• Nikkaji Number: J2.088.210G
• ChEMBL ID: CHEMBL258261
• Mol file: 16546-06-8.mol

Synonyms:CHEMBL258261;NSC-521067;NSC521067;D0E7TO;4'-Bromoacetophenonethiosemicarbazone;BDBM50376212;1-(1-(4-bromophenyl)ethylidene)thiosemicarbazide

Chemical Property of 1-(1-(4-Bromophenyl)ethylidene)thiosemicarbazide

Chemical Property:

• Vapor Pressure: 1.58E-05mmHg at 25°C
• Boiling Point: 365.3°Cat760mmHg
• Flash Point: 174.7°C
• Density: 1.55g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 270.97788
• Heavy Atom Count: 14
• Complexity: 234

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NNC(=S)N)C1=CC=C(C=C1)Br
• Isomeric SMILES: C/C(=N/NC(=S)N)/C1=CC=C(C=C1)Br

Technology Process of 1-(1-(4-Bromophenyl)ethylidene)thiosemicarbazide

There total 2 articles about 1-(1-(4-Bromophenyl)ethylidene)thiosemicarbazide 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: 94.0%

para-bromoacetophenone (99-90-1) + thiosemicarbazide (79-19-6) → 2-[1-(4-bromophenyl)ethylidene]hydrazine-1-carbothioamide (16546-06-8)

Guidance literature:

In ethanol; for 5h; Reflux;

DOI:10.1155/2012/457949

Reference yield: 84.0%

thiosemicarbazide hydrochloride (4346-94-5) + para-bromoacetophenone (99-90-1) → 2-[1-(4-bromophenyl)ethylidene]hydrazine-1-carbothioamide (16546-06-8)

Guidance literature:

With hydrogenchloride; In ethanol; water;

DOI:10.1007/s00044-012-0208-6

Reference yield: 93.05%

2-[1-(4-bromophenyl)ethylidene]hydrazine-1-carbothioamide (16546-06-8) + 4-Nitrophenacyl bromide (99-81-0) → 2-(2-(1-(4-bromophenyl)ethylidene)hydrazinyl)-4-(4-nitrophenyl)thiazole

Guidance literature:

In ethanol; at 20 ℃; for 5h;

upstream raw materials:

para-bromoacetophenone

thiosemicarbazide

thiosemicarbazide hydrochloride

Downstream raw materials:

1-(4-bromo-phenyl)-ethanone (4-thiophen-2-yl-thiazol-2-yl)-hydrazone

1-(4-bromo-phenyl)-ethanone (4-p-tolyl-thiazol-2-yl)-hydrazone

2-(2-(1-(4-bromophenyl)ethylidene)hydrazinyl)-4-(4-chlorophenyl)thiazole

4-(4-bromophenyl)-2-(2-(1-(4-bromophenyl)ethylidene)hydrazinyl)thiazole