183660

3,3-Dimethylacryloyl chloride

97%, contains 400 ppm phenothiazine as inhibitor

• Synonym(s): 3-Methyl-2-butenoyl chloride, 3-Methylcrotonoyl chloride, Senecioyl chloride
• Linear Formula: (CH₃)₂C=CHCOCl
• CAS Number: 3350-78-5
• Molecular Weight: 118.56
• Beilstein: 1560268
• EC Number: 222-109-4
• MDL number: MFCD00000730
• UNSPSC Code: 12352100
• PubChem Substance ID: 24851067
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 97%
• form: liquid
• contains: 400 ppm phenothiazine as inhibitor
• refractive index: n20/D 1.476 (lit.)
• bp: 145-147 °C (lit.)
• density: 1.065 g/mL at 25 °C (lit.)
• SMILES string: C\C(C)=C\C(Cl)=O
• InChI: 1S/C5H7ClO/c1-4(2)3-5(6)7/h3H,1-2H3
• InChI key: BDUBTLFQHNYXPC-UHFFFAOYSA-N

Description

General description

3,3-Dimethylacryloyl chloride reacts with silylketene acetals in acetonitrile to give δ-ethylenic β-keto esters.

Application

3,3-Dimethylacryloyl chloride was used in the synthesis of:

• substituted 4,4-dimethyl-3,4-dihydro-1H-quinolin-2-one via condensation with aniline
• N-(3,3-Dimethylacryloyl)-(S)-leucine methyl ester

Safety Information

• Pictograms: GHS02,GHS05,GHS07
• Signal Word: Danger
• Hazard Statements: H226,H314,H335
• Precautionary Statements: P210 - P233 - P240 - P280 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1B - STOT SE 3
• Target Organs: Respiratory system
• Supplementary Hazards: EUH014
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 123.8 °F - closed cup
• Flash Point(C): 51 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves