2-Methyl-3-biphenylmethanol CAS 76350-90-8
Introduction：Basic information about 2-Methyl-3-biphenylmethanol CAS 76350-90-8, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
2-Methyl-3-biphenylmethanol Basic information
| Product Name: | 2-Methyl-3-biphenylmethanol |
| Synonyms: | 2-Methyl-3-biphenylm;2-Methyl-3-phenylbenzyl Alcohol;[1,1'-Biphenyl]-3-Methanol,2-Methyl-;Bifenthrin alcohol metabolite, 10 μg /μL in cyclohexane;(2-Methyl[1,1'-biphenyl]- 3-yl) methanol (bifenthrin alcohol, BFA, BA);2-METHYLBIPHENYL-3-METHANOL;2-METHYL-3-BIPHENYLMETHANOL;3-HYDROXYMETHYL-2-METHYLBIPHENYL |
| CAS: | 76350-90-8 |
| MF: | C14H14O |
| MW: | 198.26 |
| EINECS: | 1312995-182-4 |
| Product Categories: | Pesticide;Alkohols;Alcohols;C9 to C30;Oxygen Compounds;Aromatics;Intermediates & Fine Chemicals;Pharmaceuticals;Aromatic alcohols and diols |
| Mol File: | 76350-90-8.mol |
2-Methyl-3-biphenylmethanol Chemical Properties
| Melting point | 73-76 °C(lit.) |
| Boiling point | 330.9±11.0 °C(Predicted) |
| density | 1.072±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 14.28±0.10(Predicted) |
| color | White to Off-White |
| InChI | InChI=1S/C14H14O/c1-11-13(10-15)8-5-9-14(11)12-6-3-2-4-7-12/h2-9,15H,10H2,1H3 |
| InChIKey | BGTLHJPGBIVQLJ-UHFFFAOYSA-N |
| SMILES | C1(C2=CC=CC=C2)=CC=CC(CO)=C1C |
| CAS DataBase Reference | 76350-90-8(CAS DataBase Reference) |
| EPA Substance Registry System | [1,1'-Biphenyl]-3-methanol, 2-methyl- (76350-90-8) |
Safety Information
| WGK Germany | 3 |
| TSCA | TSCA listed |
| HS Code | 2906290090 |
| Description | 2-Methyl-3-biphenylmethanol is a pharmaceutical intermediate and organic chemical synthesis reagent, which can be used in the preparation of drugs such as Bifenthrin and PD-L1 inhibitors, and also in the synthesis of other organic compounds such as 2-methyl-3-phenylphenethylboronic acid pinacol ester, biphenyl-1,2,3-triazole couplings and biphenyl alcohols. |
| Chemical Properties | white to light yellow crystal powde |
| Uses | Bifenthrin intermediate. |
| Synthesis | Carrying out a Suzuki coupling reaction between 3-bromo-2-methylbenzoic acid and phenyl substituted boric acid or phenyl substituted borate to obtain 3-phenyl-2-methylbenzoic acid, and then carrying out a reduction reaction to obtain 2-Methyl-3-biphenylmethanol, wherein the Suzuki coupling reaction is carried out at 10-150°C for 1-12 hours under the action of an alkali. 3-phenyl-2-methylbenzoic acid can be directly reduced with a reducing agent such as borane and lithium aluminium hydride to obtain 2-Methyl-3-biphenylmethanol. |
| References | [1] Journal of Medicinal Chemistry, 2017, vol. 60, # 13, p. 5857 - 5867 [2] Patent: WO2018/200571, 2018, A1. Location in patent: Page/Page column 44-45 [3] Patent: WO2015/34820, 2015, A1. Location in patent: Page/Page column 42 [4] Patent: US2015/291549, 2015, A1. Location in patent: Paragraph 0210; 0211 [5] Patent: WO2017/118762, 2017, A1. Location in patent: Page/Page column 39; 40 |
2-Methyl-3-biphenylmethanol Preparation Products And Raw materials
| Raw materials | Tetrahydrofuran-->Magnesium-->Potassium iodide-->Copper-->Paraformaldehyde-->Bromobenzene-->Copper(I) Cyanide-->Biphenyl-->3-CHLORO-2-METHYLBIPHENYL-->3-Aminobenzylalcohol-->2-Methylbenzyl alcohol-->2-Methyl-3-nitrobenzyl alcohol |
| Preparation Products | Bifenthrin-->[1,1'-Biphenyl]-3-methanamine, 2-methyl--->2-Methyl-[1,1'-biphenyl]-3-carbaldehyde |
