1-(Phenylsulfonyl)cyclopropanecarboxylic acid

Base Information

• Chemical Name: 1-(Phenylsulfonyl)cyclopropanecarboxylic acid
• CAS No.: 97383-41-0
• Molecular Formula: C10H10O4S
• Molecular Weight: 226.24900
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID90354903
• Nikkaji Number: J394.148E
• Wikidata: Q82133389
• Mol file: 97383-41-0.mol

Synonyms:1-(phenylsulfonyl)cyclopropanecarboxylic acid;97383-41-0;Cyclopropanecarboxylic acid, 1-(phenylsulfonyl)-;1-(benzenesulfonyl)cyclopropane-1-carboxylic acid;IFLab1_004539;Cambridge id 5144090;Oprea1_213870;Oprea1_299693;SCHEMBL3936342;DTXSID90354903;HMS1424O07;MFCD00547146;AKOS000131917;AT19671;SDCCGMLS-0065546.P001;IDI1_010294;BS-36409;1-(phenylsulfonyl)cyclopropanecarboxylicacid;EN300-73292;1-(phenylsulfonyl)cyclopropane-1-carboxylic acid;SR-01000196849;SR-01000196849-1;1-benzenesulfonyl-cyclopropanecarboxylic acid, AldrichCPR;F0909-0069;Z255116814

Chemical Property of 1-(Phenylsulfonyl)cyclopropanecarboxylic acid

Chemical Property:

• Vapor Pressure: 6.78E-10mmHg at 25°C
• Boiling Point: 476.7oC at 760 mmHg
• Flash Point: 242.1oC
• PSA: 79.82000
• Density: 1.496g/cm3
• LogP: 2.15830
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 226.02997997
• Heavy Atom Count: 15
• Complexity: 355

Purity/Quality:

97% ^*data from raw suppliers

1-(Phenylsulfonyl)cyclopropanecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1(C(=O)O)S(=O)(=O)C2=CC=CC=C2

Technology Process of 1-(Phenylsulfonyl)cyclopropanecarboxylic acid

There total 5 articles about 1-(Phenylsulfonyl)cyclopropanecarboxylic acid 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: 93.0%

ethyl 2-phenylsulfonylacetate (7605-30-3) + ethylene dibromide (106-93-4) → 1-(phenylsulfonyl)cyclopropanecarboxylic acid (97383-41-0)

Guidance literature:

With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; for 1h;

Reference yield: 60.0%

1-(phenylsulfonyl)cyclopropanecarbonitrile (36674-50-7) → 1-(phenylsulfonyl)cyclopropanecarboxylic acid (97383-41-0)

Guidance literature:

With hydrogenchloride; acetic acid; for 3h; Heating;

Reference yield:

1-Benzenesulfonyl-cyclopropanecarboxylic acid ethyl ester → 1-(phenylsulfonyl)cyclopropanecarboxylic acid (97383-41-0)

Guidance literature:

With potassium hydroxide; In ethanol; for 2h; Yield given; Heating;

upstream raw materials:

ethyl 2-phenylsulfonylacetate

ethylene dibromide

1-(phenylsulfonyl)cyclopropanecarbonitrile

2-(phenylsulfonyl)acetonitrile

Downstream raw materials:

3-benzenesulfonyl-dihydro-furan-2-one

1-(phenylsulfonyl)cyclopropanecarbonyl chloride

Methyl 1-phenylsulfonylcyclopropanecarboxylate

1-Phenylsulfonylcyclopropanecarbonyl azide