BENZOIC ACID, p-(ISOPROPYLSULFONYL)-, 2-ISOPROPYLHYDRAZIDE

Base Information

• Chemical Name: BENZOIC ACID, p-(ISOPROPYLSULFONYL)-, 2-ISOPROPYLHYDRAZIDE
• CAS No.: 20884-85-9
• Molecular Formula: C13H20N2O3S
• Molecular Weight: 284.37
• DSSTox Substance ID: DTXSID40175009
• Nikkaji Number: J83.445I
• Wikidata: Q83045214
• Mol file: 20884-85-9.mol

Synonyms:BENZOIC ACID, p-(ISOPROPYLSULFONYL)-, 2-ISOPROPYLHYDRAZIDE;BRN 3100646;20884-85-9;N'-Isopropyl-p-(isopropylsulfonyl)benzhydrazide;DTXSID40175009;LS-37779

Chemical Property of BENZOIC ACID, p-(ISOPROPYLSULFONYL)-, 2-ISOPROPYLHYDRAZIDE

Chemical Property:

• PSA: 83.65000
• LogP: 3.37410
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 284.11946368
• Heavy Atom Count: 19
• Complexity: 391

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NNC(=O)C1=CC=C(C=C1)S(=O)(=O)C(C)C

Technology Process of BENZOIC ACID, p-(ISOPROPYLSULFONYL)-, 2-ISOPROPYLHYDRAZIDE

There total 4 articles about BENZOIC ACID, p-(ISOPROPYLSULFONYL)-, 2-ISOPROPYLHYDRAZIDE 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:

1-(isopropylthio)-4-methylbenzene (14905-81-8) → p-(isopropylsulfonyl)-benzoic acid, 2-isopropylhydrazide (20884-85-9)

Guidance literature:

Multi-step reaction with 4 steps

1: KMnO₄, aq. NaOH

2: H₂SO₄

3: N₂H₄*H₂O

4: H₂ / PtO₂ / ethanol

With sodium hydroxide; potassium permanganate; sulfuric acid; hydrogen; hydrazine hydrate; platinum(IV) oxide; In ethanol;

DOI:10.1021/jm00311a024

Reference yield:

4-(isopropylsulfonyl)benzoic acid (20884-61-1) → p-(isopropylsulfonyl)-benzoic acid, 2-isopropylhydrazide (20884-85-9)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂SO₄

2: N₂H₄*H₂O

3: H₂ / PtO₂ / ethanol

With sulfuric acid; hydrogen; hydrazine hydrate; platinum(IV) oxide; In ethanol;

DOI:10.1021/jm00311a024

Reference yield:

para-thiocresol (106-45-6) → p-(isopropylsulfonyl)-benzoic acid, 2-isopropylhydrazide (20884-85-9)

Guidance literature:

Multi-step reaction with 5 steps

1: (i) NaOEt, EtOH, (ii) /BRN= 1098244/

2: KMnO₄, aq. NaOH

3: H₂SO₄

4: N₂H₄*H₂O

5: H₂ / PtO₂ / ethanol

With sodium hydroxide; potassium permanganate; sulfuric acid; hydrogen; hydrazine hydrate; platinum(IV) oxide; In ethanol;

DOI:10.1021/jm00311a024

upstream raw materials:

p-(Isopropylsulfonyl)-benzoesaeure-hydrazid

acetone

1-(isopropylthio)-4-methylbenzene

4-(isopropylsulfonyl)benzoic acid

Refernces