4-Isopropylbenzenesulfonamide

Base Information

• Chemical Name: 4-Isopropylbenzenesulfonamide
• CAS No.: 6335-39-3
• Molecular Formula: C9H13NO2S
• Molecular Weight: 199.274
• Hs Code.: 2935009090
• NSC Number: 29618
• DSSTox Substance ID: DTXSID90283087
• Nikkaji Number: J409.566I
• Wikidata: Q82017535
• Mol file: 6335-39-3.mol

Synonyms:4-isopropylbenzenesulfonamide;6335-39-3;4-propan-2-ylbenzenesulfonamide;4-(propan-2-yl)benzene-1-sulfonamide;p-Cumenesulfonamide;Benzenesulfonamide, 4-(1-methylethyl)- (9CI);4-(1-methylethyl)Benzenesulfonamide;p-isopropylbenzenesulfonamide;4-(i-propyl)benzenesulfonamide;NSC29618;Oprea1_132789;Oprea1_657089;SCHEMBL84516;4-isopropylbenzenesulphonamide;4-iso-propylbenzenesulfonamide;4-isopropyl-benzenesulfonamide;4-isopropylbenzene sulfonamide;DTXSID90283087;4-(propan-2-yl)benzenesulfonamide;BBL104372;MFCD00457071;NSC 29618;NSC-29618;STK396672;AKOS000146426;FS-2122;A7977;FT-0678615;A19004;D86473;EN300-270531;Z45415598;F1055-0033

Chemical Property of 4-Isopropylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 0.000191mmHg at 25°C
• Melting Point: 103-106℃
• Refractive Index: 1.542
• Boiling Point: 328.3 °C at 760 mmHg
• PKA: 10.19±0.10(Predicted)
• Flash Point: 152.4 °C
• PSA: 68.54000
• Density: 1.182 g/cm³
• LogP: 3.23850
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 199.06669983
• Heavy Atom Count: 13
• Complexity: 245

Purity/Quality:

99%, ^*data from raw suppliers

4-Isopropylbenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Isopropylbenzenesulfonamide

There total 7 articles about 4-Isopropylbenzenesulfonamide 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:

Isopropylbenzene (98-82-8) → bis-(4-isopropyl-phenyl)-sulfone (57913-35-6) + 4-isopropylbenzenesulfonamide (6335-39-3)

Guidance literature:

With chlorosulphuric acid; chloroform; Erwaermen des Reaktionsprodukts mit Ammoniumcarbonat;

DOI:10.1021/ja01857a055

Reference yield:

4-isopropylbenzenesulfonyl chloride (54997-90-9) → 4-isopropylbenzenesulfonamide (6335-39-3)

Guidance literature:

With ammonium hydroxide;

DOI:10.1139/v63-067

Reference yield:

→ 4-isopropylbenzenesulfonamide (6335-39-3)

Guidance literature:

With phosphorus pentachloride; und Erhitzen des erhaltenen Chlorids mit alkoh.Ammoniak auf 108grad;

DOI:10.1359/jbmr.2002.17.6.1095

upstream raw materials:

Isopropylbenzene

4-isopropylbenzenesulfonyl chloride

Downstream raw materials:

4-isopropyl-benzenesulfonic acid-(2-hydroxy-ethylamide)

(4-isopropyl-benzenesulfonyl)-oxalamic acid methyl ester

formyl-(4-isopropyl-benzenesulfonyl)-amine

N-butyl-N'-(4-isopropyl-benzenesulfonyl)-urea

Refernces

• 1、 Idrees, Danish,Hadianawala, Murtuza,Mahapatra, Amarjyoti Das,Datta, Bhaskar,Roy, Sonam,Ahamad, Shahzaib,Khan, Parvez,Imtaiyaz Hassan, Md.. "Implication of sulfonylurea derivatives as prospective inhibitors of human carbonic anhydrase II". . p. 961 - 969. Retrieved 2018/05/23.
• 2、 -. "AZABICYCLO[3.1.0] HEXYLPHENYL DERIVATIVE AS MODULATORS OF DOPAMINE D3 RECEPTORS". Page/Page column 38. . Retrieved 2008/06/13.