4-(2-bromoacetyl)-N,N-dimethylbenzenesulfonamide

Base Information

• Chemical Name: 4-(2-bromoacetyl)-N,N-dimethylbenzenesulfonamide
• CAS No.: 89102-54-5
• Molecular Formula: C10H12 Br N O3 S
• Molecular Weight: 306.18
• Hs Code.: 2935009090
• European Community (EC) Number: 830-943-0
• DSSTox Substance ID: DTXSID90407009
• Wikidata: Q82212209
• Mol file: 89102-54-5.mol

Synonyms:89102-54-5;4-(2-bromoacetyl)-N,N-dimethylbenzenesulfonamide;4-(2-bromoacetyl)-N,N-dimethylbenzene-1-sulfonamide;SCHEMBL6608580;DTXSID90407009;MFCD06682723;AKOS000122861;BS-14047;CS-0232843;FT-0663624;EN300-12907;4-(Bromoacetyl)-N,N-dimethylbenzene-1-sulfonamide;SR-01000068485;SR-01000068485-1;Z89269014

Chemical Property of 4-(2-bromoacetyl)-N,N-dimethylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 7.98E-07mmHg at 25°C
• Melting Point: 90-92 °C(Solv: benzene (71-43-2))
• Boiling Point: 406.7°C at 760 mmHg
• PKA: -5.58±0.70(Predicted)
• Flash Point: 199.8°C
• PSA: 62.83000
• Density: 1.533g/cm³
• LogP: 2.59530
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 304.97213
• Heavy Atom Count: 16
• Complexity: 340

Purity/Quality:

98%Min ^*data from raw suppliers

4-(2-Bromoacetyl)-N,N-dimethylbenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)CBr
• Uses: 4-(BROMOACETYL)-N,N-DIMETHYLBENZENESULFONAMIDE is useful in the preparation of intermediates for treatment and prophylaxis of conditions mediated by s-CD23 inhibitor.

Technology Process of 4-(2-bromoacetyl)-N,N-dimethylbenzenesulfonamide

There total 3 articles about 4-(2-bromoacetyl)-N,N-dimethylbenzenesulfonamide 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: 95.0%

4-acetyl-N,N-dimethylbenzenesulfonamide (60000-87-5) → 4-(2-bromoacetyl)-N,N-dimethylbenzenesulfonamide (89102-54-5)

Guidance literature:

With bromine; In 1,4-dioxane; diethyl ether;

DOI:10.1080/10426500802111207

Reference yield:

p-ethylbenzenesulfonyl chloride (16712-69-9) → 4-(2-bromoacetyl)-N,N-dimethylbenzenesulfonamide (89102-54-5)

Guidance literature:

Multi-step reaction with 3 steps

2: KMnO₄; aqueous acetone; Mg(NO₃)2

3: acetic acid; bromine

With magnesium(II) nitrate; potassium permanganate; bromine; acetic acid; acetone;

Reference yield:

4-ethyl-N,N-dimethylbenzenesulfonamide (25837-65-4) → 4-(2-bromoacetyl)-N,N-dimethylbenzenesulfonamide (89102-54-5)

Guidance literature:

Multi-step reaction with 2 steps

1: KMnO₄; aqueous acetone; Mg(NO₃)2

2: acetic acid; bromine

With magnesium(II) nitrate; potassium permanganate; bromine; acetic acid; acetone;

upstream raw materials:

4-acetyl-N,N-dimethylbenzenesulfonamide

p-ethylbenzenesulfonyl chloride

4-ethyl-N,N-dimethylbenzenesulfonamide

Downstream raw materials:

4-(N-dichloroacetyl-glycyl)-benzenesulfonic acid dimethylamide

2-(4-Dimethylaminosulphonyl-phenyl)-imidazo[1,2-a]pyrimidine

N,N-dimethyl-4-(2-p-tolylaminoacetyl)benzenesulfonamide

4-(2-cyanomethylthiazol-4-yl)-N,N-dimethylbenzenesulfonamide

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