2-phenoxybenzenesulfonyl Chloride

Base Information

• Chemical Name: 2-phenoxybenzenesulfonyl Chloride
• CAS No.: 2688-85-9
• Molecular Formula: C12H9ClO3S
• Molecular Weight: 268.721
• Hs Code.: 2930909899
• DSSTox Substance ID: DTXSID10397074
• Nikkaji Number: J1.622.577K
• Wikidata: Q82198113
• Mol file: 2688-85-9.mol

Synonyms:2688-85-9;2-phenoxybenzenesulfonyl Chloride;2-PHENOXYBENZENE SULFONYL CHLORIDE;2-phenoxybenzene-1-sulfonyl chloride;[(2-Phenoxy)benzene]sulfonyl chloride;SCHEMBL997994;2-Phenoxyphenylsulfonyl chloride;DTXSID10397074;AR1202;MFCD03840029;2-Phenoxybenzenesulfonic acid chloride;2-PHENOXYBENZENESULFONYLCHLORIDE;AS-45055;BB 0260762;CS-0156077;EN300-1585337

Chemical Property of 2-phenoxybenzenesulfonyl Chloride

Chemical Property:

• PSA: 51.75000
• LogP: 4.48720
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 267.9960930
• Heavy Atom Count: 17
• Complexity: 330

Purity/Quality:

97% ^*data from raw suppliers

2-PHENOXYBENZENE SULFONYL CHLORIDE 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2S(=O)(=O)Cl

Technology Process of 2-phenoxybenzenesulfonyl Chloride

There total 6 articles about 2-phenoxybenzenesulfonyl 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:

2-phenoxybenzenethiol (55710-19-5) → phenoxybenzenesulfonyl chloride (2688-85-9)

Guidance literature:

With hydrogenchloride; N-chloro-succinimide; In acetonitrile; at 20 ℃; for 0.5h;

DOI:10.1016/j.bmcl.2011.01.078

Reference yield:

2-phenoxyaniline (2688-84-8) → phenoxybenzenesulfonyl chloride (2688-85-9)

Guidance literature:

Multistep reaction; (i) NaNO₂, aq. HCl, AcOH, (ii) SO₂, CuCl₂, AcOH, benzene;

DOI:10.1016/S0040-4020(01)98289-4

Reference yield:

1-nitro-2-phenoxy-benzene (2216-12-8) → phenoxybenzenesulfonyl chloride (2688-85-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: H₂ / Raney Ni / tetrahydrofuran

2.1: NaNO₂; HCl; AcOH

2.2: SO₂; CuCl₂; AcOH / benzene / 0 - 50 °C

With hydrogenchloride; hydrogen; acetic acid; sodium nitrite; nickel; In tetrahydrofuran;

DOI:10.1016/S0960-894X(01)00573-X

upstream raw materials:

2-phenoxyaniline

1-nitro-2-phenoxy-benzene

ortho-nitrofluorobenzene

phenol

Downstream raw materials:

N-methoxy-N-methyl-3-(2-phenoxy-benzenesulfonylamino)-succinamic acid tert-butyl ester

N-methyl-2-phenoxybenzenesulfonamide

4-oxo-3-(2-phenoxy-benzenesulfonylamino)-butyric acid tert-butyl ester

4-[Carboxy-(4-phenoxy-benzenesulfonylamino)-methyl]-piperidine-1-carboxylic acid tert-butyl ester