3-Pentanone p-Toluenesulfonylhydrazone

Base Information

• Chemical Name: 3-Pentanone p-Toluenesulfonylhydrazone
• CAS No.: 28495-72-9
• Molecular Formula: C12H18 N2 O2 S
• Molecular Weight: 254.353
• Hs Code.: 2935009090
• European Community (EC) Number: 678-468-6
• NSC Number: 126974
• DSSTox Substance ID: DTXSID80298923
• Nikkaji Number: J2.925.657H
• Mol file: 28495-72-9.mol

Synonyms:3-Pentanone p-Toluenesulfonylhydrazone;28495-72-9;4-methyl-N-(pentan-3-ylideneamino)benzenesulfonamide;Benzenesulfonic acid, 4-methyl-, 2-(1-ethylpropylidene)hydrazide;3-Pentanonep-Toluenesulfonylhydrazone;NSC126974;3-Pentanone Tosylhydrazone;SCHEMBL23575223;DTXSID80298923;MFCD03367534;AKOS000979637;NSC-126974;AS-71727;CS-0152665;P1813;D80404;4-methyl-N'-(pentan-3-ylidene)benzene-1-sulfonohydrazide

Chemical Property of 3-Pentanone p-Toluenesulfonylhydrazone

Chemical Property:

• Melting Point: 103 °C
• Boiling Point: 377°Cat760mmHg
• Flash Point: 181.8°C
• PSA: 66.91000
• Density: 1.13g/cm³
• LogP: 3.92100
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 254.10889899
• Heavy Atom Count: 17
• Complexity: 343

Purity/Quality:

98% ^*data from raw suppliers

3-Pentanone p-Toluenesulfonylhydrazone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=NNS(=O)(=O)C1=CC=C(C=C1)C)CC

Technology Process of 3-Pentanone p-Toluenesulfonylhydrazone

There total 1 articles about 3-Pentanone p-Toluenesulfonylhydrazone 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: 99.5%

toluene-4-sulfonic acid hydrazide (1576-35-8) + pentan-3-one (96-22-0) → 4-methyl-N’-(pentan-3-ylidene)-benzenesulfonohydrazide (28495-72-9)

Guidance literature:

In methanol; at 20 ℃; Inert atmosphere;

DOI:10.1021/ol5011714

Reference yield: 94.0%

4-methyl-N’-(pentan-3-ylidene)-benzenesulfonohydrazide (28495-72-9) + allyl bromide (106-95-6) → N-allyl-4-methyl-N'-(pentan-3-ylidene)benzenesulfonohydrazide (1338091-93-2)

Guidance literature:

With caesium carbonate; at 20 ℃; for 1h; Neat (no solvent); Ball-milling;

DOI:10.1016/j.tet.2011.07.056

Reference yield: 92.0%

4-methyl-N’-(pentan-3-ylidene)-benzenesulfonohydrazide (28495-72-9) + 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid 4-methoxyphenyl ester (93131-74-9) → (E)-1-methoxy-4-(pent-2-en-3-yl)benzene (18421-23-3)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; water; lithium chloride; lithium tert-butoxide; XPhos; In 1,4-dioxane; at 110 ℃; for 4h; Inert atmosphere; Reflux;

DOI:10.1021/ol102884g

upstream raw materials:

toluene-4-sulfonic acid hydrazide

pentan-3-one

Downstream raw materials:

5,8b-Dihydro-8b-methyl-7-phenyl-6H-1,2,3-thiadiazolo<5,4-c><1,2,4>triazolo<1,2-a>pyridazin-6,8(7H)-dion

(2-ethylbut-1-en-1-yl)benzene

(E)-1-methoxy-4-(pent-2-en-3-yl)benzene

N-allyl-4-methyl-N'-(pentan-3-ylidene)benzenesulfonohydrazide