Cas no 85952-29-0 (n-methyl-1-(4-nitrophenyl)methanesulfonamide)

n-methyl-1-(4-nitrophenyl)methanesulfonamide structure
85952-29-0 structure
Product Name:n-methyl-1-(4-nitrophenyl)methanesulfonamide
CAS No:85952-29-0
MF:C8H10N2O4S
MW:230.241000652313
MDL:MFCD00277775
CID:60924
PubChem ID:703312
Update Time:2025-08-03

n-methyl-1-(4-nitrophenyl)methanesulfonamide Chemical and Physical Properties

Names and Identifiers

    • n-methyl-1-(4-nitrophenyl)methanesulfonamide
    • N-Methyl-4-nitro-alpha-toluenesulfonamide
    • N-Methyl-4-nitro-α-toluenesulfonamide
    • N-Methyl-(4-nitro)-benzyl sulfonamide
    • N-methyl-(4-nitrophenyl)methanesulfonamide
    • N-METHYL-4-NITRO BENZENE METHANE SULFONAMIDE
    • 4-Nitro-Methyl-Benzene-Methane-Sulfonamide
    • 4-NITRO-N-METHYL BENZENE METHANE SULFONAMIDE
    • BENZENEMETHANESULFONAMIDE,N-METHYL-4-NITRO
    • N-Methyl-4-nitro-^a-toluenesulfonamide
    • N-METHYL-4-NITRO-BENZENEMETHANESULFONAMIDE
    • N-methyl-4-nitrobenzenemethanesulphonamide
    • N-methyl-4-nitrotoluenesulphonamide
    • 1-(4-Nitrophenyl)-N-methylmethanesulfonamide
    • 4-(((Methylamino)sulfonyl)methyl)nitrobenzene
    • N-Methyl-4-nitrobenzenemethanesulfonamide
    • N-Methyl-4-nitrobenzenemethanesulfonamide (ACI)
    • (4-Nitro-phenyl)-methanesulfonic acid methylamide
    • {4-nitrophenyl}-N-methylmethanesulfonamide
    • Maybridge1_006642
    • Oprea1_403711
    • DTXSID10351555
    • F30190
    • CCG-47497
    • KZWPBAASZYQWIV-UHFFFAOYSA-N
    • MFCD00277775
    • AC-11071
    • CS-W012959
    • AS-7011
    • SCHEMBL3001018
    • 4-Nitrophenyl-N-Methyl Methanesulfonamide
    • AR-011/42531535
    • AKOS009232330
    • HMS560F20
    • EN300-680176
    • N-Methyl-4-nitro- alpha -toluenesulfonamide
    • N-Methyl-4-nitro-
    • SR-01000637105-1
    • SY262157
    • 85952-29-0
    • A-toluenesulfonamide
    • MDL： MFCD00277775
    • Inchi： 1S/C8H10N2O4S/c1-9-15(13,14)6-7-2-4-8(5-3-7)10(11)12/h2-5,9H,6H2,1H3
    • InChI Key： KZWPBAASZYQWIV-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1C=CC(CS(NC)(=O)=O)=CC=1)=O

Computed Properties

  • Exact Mass: 230.03600
  • Monoisotopic Mass: 230.03612798g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 309
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 0.7
  • Topological Polar Surface Area: 100?2

Experimental Properties

  • Color/Form: Cream crystal powder
  • Density: 1.404
  • Melting Point: 151-153°C
  • Boiling Point: 417.5°C at 760 mmHg
  • Flash Point: 206.3°C
  • Refractive Index: 1.579
  • PSA: 100.37000
  • LogP: 2.63890
  • Solubility: Not determined

n-methyl-1-(4-nitrophenyl)methanesulfonamide Security Information

n-methyl-1-(4-nitrophenyl)methanesulfonamide Customs Data

  • HS CODE：2935009090
  • Customs Data：

    China Customs Code:

    2935009090

    Overview:

    2935009090 Other sulphonates(Acyl)amine. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:35.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%

n-methyl-1-(4-nitrophenyl)methanesulfonamide Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-OE567-250mg
n-methyl-1-(4-nitrophenyl)methanesulfonamide
 85952-29-0 98%
250mg
 142CNY 2021-05-07
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-OE567-1g
n-methyl-1-(4-nitrophenyl)methanesulfonamide
 85952-29-0 98%
1g
 315.0CNY 2021-07-14
Alichem
A019116862-25g
N-Methyl-1-(4-nitrophenyl)methanesulfonamide
 85952-29-0 98%
25g
 $415.29 2023-08-31
Chemenu
CM302911-25g
N-Methyl-1-(4-nitrophenyl)methanesulfonamide
 85952-29-0 95+%
25g
 $356 2021-06-16
TRC
M219523-50mg
N-Methyl-1-(4-nitrophenyl)methanesulfonamide
 85952-29-0
50mg
 45.00 2021-08-03
TRC
M219523-100mg
N-Methyl-1-(4-nitrophenyl)methanesulfonamide
 85952-29-0
100mg
 60.00 2021-08-03
TRC
M219523-500mg
N-Methyl-1-(4-nitrophenyl)methanesulfonamide
 85952-29-0
500mg
 $81.00 2023-05-18
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-OE567-200mg
n-methyl-1-(4-nitrophenyl)methanesulfonamide
 85952-29-0 98%
200mg
 97.0CNY 2021-07-14
Chemenu
CM302911-25g
N-Methyl-1-(4-nitrophenyl)methanesulfonamide
 85952-29-0 95+%
25g
 $356 2022-05-27
Ambeed
A481487-250mg
N-Methyl-1-(4-nitrophenyl)methanesulfonamide
 85952-29-0 98%
250mg
 $24.0 2025-04-16

n-methyl-1-(4-nitrophenyl)methanesulfonamide Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Dichloromethane ,  Water ;  3 h, cooled
Reference
Synthesis of N-methyl-4-nitrobenzylsulfonamide
Zhang, Xuefeng; et al, Zhongguo Yiyao Gongye Zazhi, 2009, 40(6), 410-411

Production Method 2

Reaction Conditions
1.1 Reagents: Methanol ,  Sodium sulfite Solvents: Water ;  heated
1.2 7 h, reflux; reflux → rt
2.1 Reagents: Phosphorus pentachloride Solvents: Toluene ;  2.5 h, rt → reflux; reflux → rt
3.1 Solvents: Dichloromethane ,  Water ;  3 h, cooled
Reference
Synthesis of N-methyl-4-nitrobenzylsulfonamide
Zhang, Xuefeng; et al, Zhongguo Yiyao Gongye Zazhi, 2009, 40(6), 410-411

Production Method 3

Reaction Conditions
1.1 Solvents: Chloroform ;  2.5 h, < 30 °C
Reference
Synthesis of N-methyl-4-aminobenzyl sulfonamide
Chen, Yanlei; et al, Huaxue Shijie, 2005, 46(3), 165-166

Production Method 4

Reaction Conditions
1.1 Reagents: Phosphorus pentachloride Solvents: Toluene ;  3 h, 110 °C
1.2 Solvents: Tetrahydrofuran ;  16 h, 25 °C
Reference
First total synthesis of 3a-hydroxy-1,1-dimethyl-5-((N-methylsulfamoyl)methyl)-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-1-ium 2,2,2-trifluoroacetate by mimicking the oxidative degradation pathway of sumatriptan
Sasmal, Pradip K.; et al, Results in Chemistry, 2021, 3,

Production Method 5

Reaction Conditions
1.1 Solvents: Toluene ;  3 h, rt → reflux; reflux → rt
1.2 Reagents: Phosphorus pentachloride ;  2 h, rt → reflux; 4 h, reflux; reflux → rt
1.3 Reagents: Water ;  cooled
1.4 Solvents: Water ;  0.5 h, pH 8 - 9, < 15 °C; 15 °C → rt; 8 h, rt
Reference
Synthesis of sumatriptan
Wang, Shaojie; et al, Zhongguo Yaowu Huaxue Zazhi, 2008, 18(6), 442-444

Production Method 6

Reaction Conditions
1.1 Reagents: Sodium sulfite Solvents: Methanol ,  Water ;  18 h, reflux
2.1 Reagents: Phosphorus pentachloride Solvents: Toluene ;  3 h, 110 °C
2.2 Solvents: Tetrahydrofuran ;  16 h, 25 °C
Reference
First total synthesis of 3a-hydroxy-1,1-dimethyl-5-((N-methylsulfamoyl)methyl)-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-1-ium 2,2,2-trifluoroacetate by mimicking the oxidative degradation pathway of sumatriptan
Sasmal, Pradip K.; et al, Results in Chemistry, 2021, 3,

Production Method 7

Reaction Conditions
1.1 Reagents: Sodium sulfate Solvents: Ethanol ,  Water ;  0.5 h, rt → reflux; 5 h, reflux; reflux → rt
2.1 Solvents: Toluene ;  3 h, rt → reflux; reflux → rt
2.2 Reagents: Phosphorus pentachloride ;  2 h, rt → reflux; 4 h, reflux; reflux → rt
2.3 Reagents: Water ;  cooled
2.4 Solvents: Water ;  0.5 h, pH 8 - 9, < 15 °C; 15 °C → rt; 8 h, rt
Reference
Synthesis of sumatriptan
Wang, Shaojie; et al, Zhongguo Yaowu Huaxue Zazhi, 2008, 18(6), 442-444

Production Method 8

Reaction Conditions
1.1 Reagents: Sodium hydroxide ,  Sodium bisulfite Catalysts: Cuprous chloride Solvents: Water ;  16 h, 145 °C; 145 °C → rt
1.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 2, rt
1.3 Reagents: Potassium chloride ;  rt → reflux; 10 min, reflux; reflux → 0 °C
1.4 Reagents: Hydrochloric acid Solvents: Water ;  pH 5, rt
2.1 Reagents: Sodium hydroxide ,  Chlorine Solvents: Water ;  7 h, rt
3.1 Solvents: Chloroform ;  2.5 h, < 30 °C
Reference
Synthesis of N-methyl-4-aminobenzyl sulfonamide
Chen, Yanlei; et al, Huaxue Shijie, 2005, 46(3), 165-166

Production Method 9

Reaction Conditions
1.1 Reagents: Phosphorus pentachloride Solvents: Toluene ;  3 h, 110 °C
2.1 Solvents: Tetrahydrofuran ;  16 h, 25 °C
Reference
First total synthesis of 3a-hydroxy-1,1-dimethyl-5-((N-methylsulfamoyl)methyl)-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-1-ium 2,2,2-trifluoroacetate by mimicking the oxidative degradation pathway of sumatriptan
Sasmal, Pradip K.; et al, Results in Chemistry, 2021, 3,

Production Method 10

Reaction Conditions
1.1 Reagents: Phosphorus pentachloride Solvents: Toluene ;  2.5 h, rt → reflux; reflux → rt
2.1 Solvents: Dichloromethane ,  Water ;  3 h, cooled
Reference
Synthesis of N-methyl-4-nitrobenzylsulfonamide
Zhang, Xuefeng; et al, Zhongguo Yiyao Gongye Zazhi, 2009, 40(6), 410-411

Production Method 11

Reaction Conditions
1.1 Reagents: Sodium hydroxide ,  Chlorine Solvents: Water ;  7 h, rt
2.1 Solvents: Chloroform ;  2.5 h, < 30 °C
Reference
Synthesis of N-methyl-4-aminobenzyl sulfonamide
Chen, Yanlei; et al, Huaxue Shijie, 2005, 46(3), 165-166

Production Method 12

Reaction Conditions
1.1 Reagents: Sulfuric acid ,  Fuming nitric acid Solvents: Water ;  < 20 °C; 20 °C → rt; 2 h, rt
1.2 Reagents: Water ;  cooled
2.1 Reagents: Methanol ,  Sodium sulfite Solvents: Water ;  heated
2.2 7 h, reflux; reflux → rt
3.1 Reagents: Phosphorus pentachloride Solvents: Toluene ;  2.5 h, rt → reflux; reflux → rt
4.1 Solvents: Dichloromethane ,  Water ;  3 h, cooled
Reference
Synthesis of N-methyl-4-nitrobenzylsulfonamide
Zhang, Xuefeng; et al, Zhongguo Yiyao Gongye Zazhi, 2009, 40(6), 410-411

n-methyl-1-(4-nitrophenyl)methanesulfonamide Raw materials

n-methyl-1-(4-nitrophenyl)methanesulfonamide Preparation Products

n-methyl-1-(4-nitrophenyl)methanesulfonamide Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:85952-29-0)n-methyl-1-(4-nitrophenyl)methanesulfonamide
Order Number:A841503
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 06:53
Price ($):168.0

n-methyl-1-(4-nitrophenyl)methanesulfonamide Related Literature

Related Categories

85952-29-0 (n-methyl-1-(4-nitrophenyl)methanesulfonamide) Related Products

Recommended suppliers
Amadis Chemical Company Limited
(CAS:85952-29-0)n-methyl-1-(4-nitrophenyl)methanesulfonamide
A841503
Purity:99%
Quantity:5g
Price ($):168.0
Email