CAS No.76350-90-8,2-Methyl-3-biphenylmethanol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	76350-90-8
Name:	2-Methyl-3-biphenylmethanol
Article Data:	25

Formula:	C₁₄H₁₄O
Molecular Weight:	198.265
Synonyms:	2-Methyl-3-phenylbenzylalcohol;2-Methylbiphenyl-3-ylmethanol;3-Hydroxymethyl-2-methylbiphenyl;2-Methyl-3-biphenylmethanol;
EINECS:	1312995-182-4
Density:	1.073 g/cm³
Melting Point:	73-76 °C(lit.)
Boiling Point:	330.922 °C at 760 mmHg
Flash Point:	143.013 °C
Solubility:	Insoluble in water, soluble in ethanol, benzene and toluene
Appearance:	white to light yellow crystal powder
PSA:	20.23000
LogP:	3.15430

Synthetic route

: 83647-43-2
3-bromo-2-methylbenzyl alcohol

: 98-80-6
phenylboronic acid

: 76350-90-8
(2-methyl-[1,1'-biphenyl]-3-yl)methanol

Conditions

Conditions	Yield
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; sodium hydrogencarbonate In ethanol; toluene at 80℃; for 0.5h; Suzuki-Miyaura Coupling; Inert atmosphere;	98%
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; cesium acetate In tetrahydrofuran Suzuki-Miyaura Coupling; Reflux;	98%
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; sodium hydrogencarbonate In ethanol; toluene at 80℃; for 3h; Inert atmosphere;	98%

: 502483-86-5
1,3-dihydro-4-phenylisobenzofuran

: 76350-90-8
(2-methyl-[1,1'-biphenyl]-3-yl)methanol

Conditions

Conditions	Yield
Stage #1: 1,3-dihydro-4-phenylisobenzofuran With lithium; 4,4'-di-tert-butylbiphenyl In tetrahydrofuran at -78℃; for 3h; Stage #2: With water In tetrahydrofuran at -78℃; for 0.333333h; Stage #3: With water In tetrahydrofuran at -78 - 20℃; Further stages.;	95%
Multi-step reaction with 2 steps 1.1: Li; DTBB / tetrahydrofuran / 3 h / -78 °C 2.1: H2O / 0.5 h / -78 °C 2.2: H2O / -78 - 20 °C View Scheme

: 84541-46-8
3-chloromethyl-2-methyl-[1,1'-biphenyl]

: 76350-90-8
(2-methyl-[1,1'-biphenyl]-3-yl)methanol

Conditions

Conditions	Yield
With tetrabutylammomium bromide; water; sodium acetate at 100℃; for 15h; Reagent/catalyst;	91%

: Bifenthrin

A: 76350-90-8
(2-methyl-[1,1'-biphenyl]-3-yl)methanol

B: 76023-99-9
(1R,3R)-3-((Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2,-dimethylcyclopropane-1-carboxylic acid

Conditions

Conditions	Yield
With potassium hydroxide In methanol for 2h; Hydrolysis; Heating;

: C14H12OLi(1-)*Li(1+)

: 76350-90-8
(2-methyl-[1,1'-biphenyl]-3-yl)methanol

Conditions

Conditions	Yield
Stage #1: C14H12OLi(1-)*Li(1+) With water at -78℃; for 0.5h; Stage #2: With water at -78 - 20℃; Further stages.;

: 4-bromo-1,3-dihydro-2-benzofuran

: 76350-90-8
(2-methyl-[1,1'-biphenyl]-3-yl)methanol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: palladium 2.1: Li; DTBB / tetrahydrofuran / 3 h / -78 °C 3.1: H2O / 0.5 h / -78 °C 3.2: H2O / -78 - 20 °C View Scheme

: 576-23-8
2,3-dimethylbromobenzene

: 76350-90-8
(2-methyl-[1,1'-biphenyl]-3-yl)methanol

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: N-bromosuccinimide; AIBN 2.1: tetrabutylammonium hydroxide / dioxane 3.1: palladium 4.1: Li; DTBB / tetrahydrofuran / 3 h / -78 °C 5.1: H2O / 0.5 h / -78 °C 5.2: H2O / -78 - 20 °C View Scheme

: 127168-82-5
1-bromo-2,3-bis(bromomethyl)benzene

: 76350-90-8
(2-methyl-[1,1'-biphenyl]-3-yl)methanol

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: tetrabutylammonium hydroxide / dioxane 2.1: palladium 3.1: Li; DTBB / tetrahydrofuran / 3 h / -78 °C 4.1: H2O / 0.5 h / -78 °C 4.2: H2O / -78 - 20 °C View Scheme

: bifenthrin

A: 74609-46-4
3-(2-chloro-3,3,3-trifluoroprop-1-en-yl)-2,2-dimethylcyclopropanecarboxylic acid

B: 76350-90-8
(2-methyl-[1,1'-biphenyl]-3-yl)methanol

Conditions

Conditions	Yield
With carboxylesterase EstSt7 from Sulfolobus tokodaii strain 7; water In ethanol at 80℃; pH=9; Kinetics; Enzymatic reaction;

: 76006-33-2
3-bromo-2-methylbenzoic acid

: 76350-90-8
(2-methyl-[1,1'-biphenyl]-3-yl)methanol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: borane-THF / tetrahydrofuran / 20 °C / Cooling with ice 2: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; sodium hydrogencarbonate / toluene; ethanol / 0.5 h / 80 °C / Inert atmosphere View Scheme
Multi-step reaction with 2 steps 1: borane-THF / tetrahydrofuran / 15 h / 0 - 20 °C / Inert atmosphere 2: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; sodium hydrogencarbonate / ethanol; toluene / 0.5 h / 80 °C / Inert atmosphere View Scheme
Multi-step reaction with 2 steps 1: borane-THF / tetrahydrofuran / 15 h / 0 - 20 °C / Inert atmosphere 2: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; sodium hydrogencarbonate / toluene; ethanol / 0.5 h / 80 °C / Inert atmosphere View Scheme
Multi-step reaction with 3 steps 1.1: sulfuric acid / 60 °C 2.1: lithium aluminium tetrahydride / tetrahydrofuran / 2 h / 0 - 20 °C 2.2: 1 h / 0 °C 3.1: potassium carbonate; tetrakis(triphenylphosphine) palladium(0) / 1,4-dioxane; water / 3 h / 100 °C / Inert atmosphere View Scheme

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Specification

The 2-Methyl-3-biphenylmethanol, with the CAS registry number 76350-90-8, is also known as 3-Hydroxymethyl-2-methylbiphenyl. It belongs to the product categories of Aromatic alcohols and diols; Alkohols; Pesticide; C9 to C30; Oxygen Compounds; Aromatics; Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C₁₄H₁₄O and molecular weight is 198.26. What's more, its systematic name is (2-Methyl-3-biphenylyl)methanol. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides. It is used as as Bifenthrin intermediate.

Physical properties of 2-Methyl-3-biphenylmethanol are: (1)ACD/LogP: 3.252; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.25; (4)ACD/LogD (pH 7.4): 3.25; (5)ACD/BCF (pH 5.5): 174.41; (6)ACD/BCF (pH 7.4): 174.41; (7)ACD/KOC (pH 5.5): 1399.98; (8)ACD/KOC (pH 7.4): 1399.98; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 62.121 cm³; (15)Molar Volume: 184.81 cm³; (16)Polarizability: 24.627×10^-24cm³; (17)Surface Tension: 42.5 dyne/cm; (18)Density: 1.073 g/cm³; (19)Flash Point: 143.013 °C; (20)Enthalpy of Vaporization: 60.541 kJ/mol; (21)Boiling Point: 330.922 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Uses of 2-Methyl-3-biphenylmethanol: it can be used to produce 2,2-dimethyl-3-(2-methyl-propenyl)-cyclopropanecarboxylic acid 2-methyl-biphenyl-3-ylmethyl ester at the ambient temperature. It will need solvents diethyl ether, pyridine with the reaction time of 3 hours. The yield is about 85%.

2-Methyl-3-biphenylmethanol can be used to produce 2,2-dimethyl-3-(2-methyl-propenyl)-cyclopropanecarboxylic acid 2-methyl-biphenyl-3-ylmethyl ester at the ambient temperature

You can still convert the following datas into molecular structure:
(1)SMILES: OCc2cccc(c1ccccc1)c2C
(2)Std. 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
(3)Std. InChIKey: BGTLHJPGBIVQLJ-UHFFFAOYSA-N