Chaha

Base Information

Chemical Name:Chaha
CAS No.:698387-81-4
Molecular Formula:C12H12ClNO2S
Molecular Weight:269.74700
Hs Code.:
European Community (EC) Number:636-222-5
Wikidata:Q76415568
ChEMBL ID:CHEMBL199713
Mol file:698387-81-4.mol

Synonyms:chaha;698387-81-4;CHEMBL199713;(2E,4E)-6-(4-CHLORO-PHENYLSULFANYL)-HEXA-2,4-DIENOIC ACID HYDROXYAMIDE;SCHEMBL3185958;BDBM50475563;AKOS015965275

Suppliers and Price of Chaha

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
(2E,4E)-6-(4-CHLORO-PHENYLSULFANYL)-HEXA-2,4-DIENOIC ACID HYDROXYAMIDE 95.00%
5MG
$ 499.47

Total 0 raw suppliers

Chemical Property of Chaha

Chemical Property:

PSA：74.63000
LogP:3.44080
Storage Temp.:−20°C
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:269.0277275
Heavy Atom Count:17
Complexity:286

Purity/Quality:: (2E,4E)-6-(4-CHLORO-PHENYLSULFANYL)-HEXA-2,4-DIENOIC ACID HYDROXYAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 22-37/38-41
Safety Statements: 26-39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1SCC=CC=CC(=O)NO)Cl
Isomeric SMILES:C1=CC(=CC=C1SC/C=C/C=C/C(=O)NO)Cl

Technology Process of Chaha

There total 5 articles about Chaha 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: 48.0%

: 698387-78-9
methyl (2E,4E)-6-(4-chlorophenylsulfanyl)-2,4-hexadienoate

: 698387-81-4
6-(4-chlorophenylsulfanyl)-hexa-2,4-dienoic acid hydroxyamide

Guidance literature:: With potassium hydroxide; hydroxylamine; In tetrahydrofuran; methanol; at 0 ℃; for 1h;
DOI:10.1021/jm051010j

Reference yield:

: 51010-88-9
methyl (2E,4E)-6-bromo-2,4-hexadienoate

: 698387-81-4
6-(4-chlorophenylsulfanyl)-hexa-2,4-dienoic acid hydroxyamide

Guidance literature:: Multi-step reaction with 2 steps

1: 63 percent / Et₃N; tetrabutylammonium iodide / tetrahydrofuran / 2 h / Heating

2: 48 percent / aq. hydroxylamine; KOH / tetrahydrofuran; methanol / 1 h / 0 °C

With potassium hydroxide; hydroxylamine; tetra-(n-butyl)ammonium iodide; triethylamine; In tetrahydrofuran; methanol;
DOI:10.1021/jm051010j

Reference yield:

: 106-54-7
p-Chlorothiophenol

: 698387-81-4
6-(4-chlorophenylsulfanyl)-hexa-2,4-dienoic acid hydroxyamide

Guidance literature:: Multi-step reaction with 2 steps

1: 63 percent / Et₃N; tetrabutylammonium iodide / tetrahydrofuran / 2 h / Heating

2: 48 percent / aq. hydroxylamine; KOH / tetrahydrofuran; methanol / 1 h / 0 °C

With potassium hydroxide; hydroxylamine; tetra-(n-butyl)ammonium iodide; triethylamine; In tetrahydrofuran; methanol;
DOI:10.1021/jm051010j