Basic information
- CAS
14090-83-6- Standard SMILES
COC(=O)CS(=O)c1ccccc1- InChIKey
JPPXZUDQIXZLIL-UHFFFAOYSA-N- Molecular formula
- C9H10O3S
- Average molar mass
- 198.24 g/mol
- Monoisotopic mass
- 198.03506535
Names & identifiers
- Preferred name
- Methyl 2-(phenylsulfinyl)acetate
- IUPAC
- methyl 2-(benzenesulfinyl)acetate
- English name
- Methyl (phenylsulfinyl)acetate
- Molecular formula
- C9H10O3S
- Molecular weight
- 198.24
Names & synonyms
methyl 2-(phenylsulfinyl)acetateRefChem:81375714090-83-6methyl 2-(benzenesulfinyl)acetatemethyl (phenylsulfinyl)acetateMethyl 2-phenylsulfinylacetateMFCD00002087NSC620050Methyl(phenylsulfinyl)acetateMethyl (phenylsulphinyl)acetateEINECS 237-936-6Maybridge1_000019
Show more names
Modafinil InterMediatemethyl2-(benzenesulfinyl)acetatemethyl 2-(phenylsulphinyl)acetateMethyl 2-phenylsulfinylacetate 98%Methoxycarbonylmethyl phenyl sulfoxide(Phenylsulfinyl)acetic acid methyl ester
Acetic acid, (phenylsulfinyl)-, methyl esterNCIMech_000187MixCom1_000019methyl-(phenylsulfinyl)acetateGNF-Pf-1921Methyl (benzenesulfinyl)acetateCHEMBL601542SCHEMBL1713129
Database identifiers
- CAS
14090-83-6- PubChem CID
- 84191
- DTXSID
DTXSID00930939- ChEMBL
CHEMBL601542- EC Number
- 237-936-6
- Nikkaji
- J216.862F
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Melting point
- 52 · 52-54 °C(lit.)
- Boiling point
- 130 · 130-131 °C0.5 mm Hg(lit.)
- Density
- 1.3339 · 1.3339 (rough estimate)
- refractive index
- 1.525 · 1.5250 (estimate)
- Flash point
- 230 °F · >230 °F
- form
- solid
- BRN
- 1953383 · 1953383
- InChI
- 1S/C9H10O3S/c1-12-9(10)7-13(11)8-5-3-2-4-6-8/h2-6H,7H2,1H3
- InChIKey
- JPPXZUDQIXZLIL-UHFFFAOYSA-N
- SMILES
- COC(=O)CS(=O)c1ccccc1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- Storage Class
- 13 · 13 - Non Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationAcetic acid, (phenylsulfinyl)-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- safety_code
- 22-24/25
- Storage Class
- 13 - Non Combustible Solids
Chemistry & industry
Applications
DescriptionMethyl 2-(Phenylsulfinyl)acetate is a synthetic equivalent of a vinyl organometallic species; undergoes addition/elimination to aldehydes to give conjugated dienoates or 4-hydroxy (2E)-enoates.
UsesUndergoes condensation reactions with aldehydes to form vinylic sulfoxides.1
UsesAnion of methyl 2-phenylsulfinylacetate has been employed in the synthesis of α,β-unsaturated esters.
General DescriptionAnion of methyl 2-phenylsulfinylacetate undergoes facile alkylative elimination under solid-liquid phase-transfer conditions to afford ring-substituted cinnamates. Methyl 2-phenylsulfinylacetate undergoes condensation reactions with aldehydes to form vinylic sulfoxides.
Suppliers7 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
重庆朗天制药有限公司023-68980308 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
榆林润天畅化工有限责任公司15890142075 15890142075 · [email protected]
Related reactions
2 records
Compound notes
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