| Identification | More | [Name]
alpha-2-Chloroisodurene | [CAS]
1585-16-6 | [Synonyms]
1-(HYDROXYMETHYL)-2,4,6-TRIMETHYLBENZENE
2,4,6-TRIMETHYLBENZENEMETHANOL
2,4,6-TRIMETHYLBENZYL ALCOHOL
2-CHLOROMETHYL-1,3,5-TRIMETHYLBENZENE
A-2-CHLOROISODURENE
AKOS BBS-00003968
ALPHA2-CHLOROISODURENE
AZ-CHLOROISODURENE
BENZENE, 2-(CHLOROMETHYL)-1,3,5-TRIMETHYL-
MESITYL ALCOHOL
MESITYLMETHANOL
RARECHEM AL BD 0049
2,4,6-Trimethylbenzyl chloride, 98+%
α-2-Chloroisodurene
2-Chloromethyl-1,3,5-trimethyl-benzen
à(2)-chloroisodurene
2,4,6-Trimethylbenzyl chloride, GC 98%
4,6-trimethylbenzyl chloride
Mesitylmethyl chloride
1-(Chloromethyl)-2,4,6-trimethylbenzene | [EINECS(EC#)]
216-440-3 | [Molecular Formula]
C10H14O | [MDL Number]
MFCD00014422 | [Molecular Weight]
150.22 | [MOL File]
1585-16-6.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powde | [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. ]
Refrigerator | [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) |
| Safety Data | Back Directory | [Hazard Codes ]
C | [Risk Statements ]
R34:Causes burns.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) . | [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 |
| Hazard Information | Back Directory | [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 |
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