3,5-Dimethylbenzenesulfonyl chloride

Base Information

• Chemical Name: 3,5-Dimethylbenzenesulfonyl chloride
• CAS No.: 2905-27-3
• Molecular Formula: C8H9ClO2S
• Molecular Weight: 204.677
• Hs Code.: 29049090
• European Community (EC) Number: 627-462-1
• DSSTox Substance ID: DTXSID20371224
• Wikidata: Q72469386
• Mol file: 2905-27-3.mol

Synonyms:3,5-Dimethylbenzenesulfonyl chloride;2905-27-3;3,5-dimethylbenzene-1-sulfonyl chloride;3,5-Dimethylbenzenesulphonyl chloride;MFCD03094655;3,5-Dimethyl-benzenesulfonyl chloride;3,5-Dimethylbenzene-1-sulfonylchloride;SCHEMBL587103;DTXSID20371224;LSAGRAXLOLZVKO-UHFFFAOYSA-N;BBL104389;STK502401;AKOS000117309;AB13340;Benzenesulfonyl chloride, 3,5-dimethyl-;PS-10896;3,5-Dimethylbenzenesulfonyl chloride, 97%;AM20040108;FT-0634546;A24680;J-017374

Chemical Property of 3,5-Dimethylbenzenesulfonyl chloride

Chemical Property:

• Appearance/Colour: White to yellow crystalline powder
• Vapor Pressure: 0.00179mmHg at 25°C
• Melting Point: 90-94 °C(lit.)
• Refractive Index: 1.538
• Boiling Point: 302.3 °C at 760 mmHg
• Flash Point: 136.6 °C
• PSA: 42.52000
• Density: 1.29 g/cm³
• LogP: 3.31170
• Sensitive.: Moisture Sensitive
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 204.0011784
• Heavy Atom Count: 12
• Complexity: 232

Purity/Quality:

99% ^*data from raw suppliers

3,5-Dimethylbenzenesulfonyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45-39-37-36-A26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1)S(=O)(=O)Cl)C
• Uses: 3,5-Dimethylbenzenesulfonyl chloride (dmbSO2Cl) may be used to synthesize hexa-2,4-diyne-1,6-diyl bis(3,5-dimethylbenzenesulfonate) and C2-symmetric ligands, N(SO2R)(CH2Z)2 [where, Z = CH2NH2; R = dmb].

Technology Process of 3,5-Dimethylbenzenesulfonyl chloride

There total 6 articles about 3,5-Dimethylbenzenesulfonyl chloride 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: 98.0%

C8H12N2O2S (1249159-79-2) → 3,5-dimethyl-benzenesulfonyl chloride (2905-27-3)

Guidance literature:

With N-chloro-succinimide; In acetonitrile; at 20 ℃; for 2h;

DOI:10.3390/molecules26185551

Reference yield: 75.0%

3,5-Dimethylthiophenol (38360-81-5) → 3,5-dimethyl-benzenesulfonyl chloride (2905-27-3)

Guidance literature:

With ammonium nitrate; hydrogenchloride; oxygen; In water; acetonitrile; at 60 ℃; for 2h; Green chemistry;

DOI:10.1039/c7gc00556c

Reference yield:

C8H10O2S*C6H15N → 3,5-dimethyl-benzenesulfonyl chloride (2905-27-3)

Guidance literature:

With sulfuryl dichloride; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere; Schlenk technique;

DOI:10.1002/anie.201404527

upstream raw materials:

3,5-dimethylaminoaniline

3,5-dimethylphenyl iodide

3,5-Dimethylthiophenol

C₈H₁₂N₂O₂S

Downstream raw materials:

1-(3,5-Dimethyl-benzenesulfonyl)-5-ethoxy-pyrrolidin-2-one

N-(5-chloro-2-nitrophenyl)-3,5-dimethylbenzenesulfonamide

3-<3,5-Dimethyl-benzolsulfonylamino>-propionsaeurenitril

3,5-dimethyl-benzenesulfonic acid phenyl ester

Refernces

• 1、 Jereb, Marjan,Hribernik, Luka. "Conversion of thiols into sulfonyl halogenides under aerobic and metal-free conditions". supporting information. p. 2286 - 2295. Retrieved 2017/07/24.