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| | alpha-2-Chloroisodurene Basic information |
| Product Name: | alpha-2-Chloroisodurene | | Synonyms: | 4,6-trimethylbenzyl chloride;Mesitylmethyl chloride;1-(Chloromethyl)-2,4,6-trimethylbenzene;2-(Chloromethyl)mesitylene;alpha-2-Chloroisodurene,98%;2,4,6-Trimethylbenzyl chloride;2,4,6-Trimethyl henzyl chloride;2-(Chloromethyl)-1,3,5-trimethylbenzene, alpha-2-Chloroisodurene | | CAS: | 1585-16-6 | | MF: | C10H13Cl | | MW: | 168.66 | | EINECS: | 216-440-3 | | Product Categories: | Aromatics;Miscellaneous;Aromatics Compounds | | Mol File: | 1585-16-6.mol |  |
| | alpha-2-Chloroisodurene Chemical Properties |
| Melting point | 87-89 °C(lit.) | | Boiling point | 140 °C15 mm Hg(lit.) | | density | 1.0131 (estimate) | | refractive index | 1.5162 (estimate) | | Fp | 223 °F | | storage temp. | Inert atmosphere,2-8°C | | solubility | Chloroform (Sparingly), Ethyl Acetate (Slightly) | | form | Fused Solid, Crystals, and/or Chunks | | color | White | | BRN | 386678 | | Stability: | Air Sensitive, Moisture Sensitive | | InChI | 1S/C10H13Cl/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5H,6H2,1-3H3 | | InChIKey | UNRGEIXQCZHICP-UHFFFAOYSA-N | | SMILES | Cc1cc(C)c(CCl)c(C)c1 | | CAS DataBase Reference | 1585-16-6(CAS DataBase Reference) |
| Hazard Codes | C | | Risk Statements | 34-20/21/22 | | Safety Statements | 26-27-28-36/37/39-45-23 | | RIDADR | UN 3261 8/PG 2 | | WGK Germany | 3 | | RTECS | DP1402000 | | HazardClass | 8 | | PackingGroup | II | | HS Code | 29036990 | | Storage Class | 8A - Combustible corrosive hazardous materials | | Hazard Classifications | Skin Corr. 1B |
| | alpha-2-Chloroisodurene Usage And Synthesis |
| Chemical Properties | white to light yellow crystal powde | | Uses | 2,4,6-Trimethylbenzyl Chloride (cas# 1585-16-6) is a compound useful in organic synthesis. | | General Description | α2-Chloroisodurene undergoes coupling reaction with methylmagnesium iodide to yield 1,2-dimesitylethane. | | Synthesis | General procedure for the synthesis of 2,4,6-trimethylbenzyl chloride from 2,4,6-trimethylbenzyl alcohol: 2,4,6-trimethylbenzyl alcohol (150 mg, 1.0 mmol) was dissolved in dichloromethane (DCM, 4 mL). Thionyl chloride (87 μL, 1.2 mmol) was added slowly at 0 °C. The reaction mixture was stirred for 1 h at room temperature. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure to afford the target product 2,4,6-trimethylbenzyl chloride (168 mg, 100% yield) as a white powder. The product was identified by 1H NMR (300 MHz, CDCl3): δ 2.29 (s, 3H), 2.42 (s, 6H), 4.68 (s, 2H), 6.89 (s, 2H). Mass spectrometry analysis showed [M + H]+ peak at 133. | | References | [1] Patent: WO2016/16238, 2016, A1. Location in patent: Page/Page column 126
[2] Beilstein Journal of Organic Chemistry, 2014, vol. 10, p. 1397 - 1405
[3] Organic Letters, 2002, vol. 4, # 11, p. 1975 - 1977
[4] Journal of Medicinal Chemistry, 1981, vol. 24, # 4, p. 382 - 389
[5] Synlett, 2014, vol. 25, # 18, p. 2639 - 2643 |
| | alpha-2-Chloroisodurene Preparation Products And Raw materials |
| Raw materials | 2,4,6-Trimethylbenzyl alcohol-->Formaldehyde-->Mesitylene-->Dichloromethane-->Thionyl chloride | | Preparation Products | 1,3,5-Tris-chloroMethyl-2,4,6-triMethyl-benzene-->2,4-Bis(chloromethyl)mesitylene-->2-Mesitylacetyl chloride-->1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[(2,4,6-trimethylphenyl)methyl]- |
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