Product Name

  • Name

    Methyl 4'-methylbiphenyl-2-carboxylate

  • EINECS
  • CAS No. 114772-34-8
  • Article Data60
  • CAS DataBase
  • Density 1.083 g/cm3
  • Solubility
  • Melting Point 60-61 °C
  • Formula C15H14O2
  • Boiling Point 359.4 °C at 760 mmHg
  • Molecular Weight 226.275
  • Flash Point 164.3 °C
  • Transport Information
  • Appearance
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 114772-34-8 (Methyl 4'-methylbiphenyl-2-carboxylate)
  • Hazard Symbols
  • Synonyms Methyl2-(4-methylphenyl)benzoate;Methyl 2-(p-tolyl)benzoate;Methyl4-methyl-2'-biphenylcarboxylate;Methyl 4'-methylbiphenyl-2-carboxylate;
  • PSA 26.30000
  • LogP 3.44860

Synthetic route

methanol
67-56-1

methanol

o-tolylbenzoic acid
7148-03-0

o-tolylbenzoic acid

methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide at 25℃; for 3h; Temperature; Large scale;98.05%
With sulfuric acid for 5h; Reflux;94%
With acetyl chloride 1.) 0 deg C, 0.25 h, 2.) reflux, 4 h; Yield given. Multistep reaction;
With sulfuric acid for 5h; Time; Reflux;13.9 g
2-bromobenzoic acid methyl ester
610-94-6

2-bromobenzoic acid methyl ester

4-methylphenylboronic acid
5720-05-8

4-methylphenylboronic acid

methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

Conditions
ConditionsYield
With tetra-butylammonium acetate; Pd EnCat-30TM In ethanol at 120℃; for 0.166667h; Suzuki cross-coupling; microwave irradiation;98%
With potassium fluoride; palladium diacetate In toluene at 80℃; for 1h; Suzuki-Miyaura coupling;93%
With sodium carbonate; [(PPh3)2Pd(N-succ)2] In tetrahydrofuran; water at 60℃; for 10h; Suzuki cross-coupling reaction;62%
o-tolylbenzoic acid
7148-03-0

o-tolylbenzoic acid

diazomethyl-trimethyl-silane
18107-18-1

diazomethyl-trimethyl-silane

methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

Conditions
ConditionsYield
In methanol for 4h;97%
In methanol; hexane at 20℃; for 4h;97%
With methanol In hexane; benzene Methylation;
In methanol; hexane; benzene
o-tolylbenzoic acid
7148-03-0

o-tolylbenzoic acid

methyl iodide
74-88-4

methyl iodide

methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

Conditions
ConditionsYield
Stage #1: o-tolylbenzoic acid With potassium carbonate In acetone for 0.25h;
Stage #2: methyl iodide In acetone for 24h; Reflux;		96%
methyl chlorobenzoate
610-96-8

methyl chlorobenzoate

5,5-dimethyl-2-(4-methylphenyl)-1,3,2-dioxaborinane
380481-66-3

5,5-dimethyl-2-(4-methylphenyl)-1,3,2-dioxaborinane

methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

Conditions
ConditionsYield
With potassium phosphate tribasic hydrate; NiIICl(1-naphthyl)(tricyclohexylphosphine)2; tricyclohexylphosphine In tetrahydrofuran at 23℃; for 4h; Suzuki-Miyaura Coupling; Inert atmosphere; Glovebox; Sealed tube;94%
o-iodo-methyl-benzoic acid
610-97-9

o-iodo-methyl-benzoic acid

p-tolyltriethoxysilane
18412-57-2

p-tolyltriethoxysilane

methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

Conditions
ConditionsYield
With copper(l) iodide; tetrakis(triphenylphosphine) palladium(0); tetrabutyl ammonium fluoride In tetrahydrofuran; water at 80℃; for 40h; Hiyama Coupling;88%
o-iodo-methyl-benzoic acid
610-97-9

o-iodo-methyl-benzoic acid

tributyl(p-tolyl)stannane
31614-66-1

tributyl(p-tolyl)stannane

methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

Conditions
ConditionsYield
With bis-triphenylphosphine-palladium(II) chloride; lithium chloride In N,N-dimethyl-formamide Inert atmosphere;86%
methyl 2-fluorobenzoate
394-35-4

methyl 2-fluorobenzoate

p-tolylzinc(II) chloride
90252-89-4

p-tolylzinc(II) chloride

methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

Conditions
ConditionsYield
Stage #1: methyl 2-fluorobenzoate; p-tolylzinc(II) chloride With bis(tricyclohexylphosphine)nickel(II) dichloride In tetrahydrofuran; 1-methyl-pyrrolidin-2-one at 25 - 100℃; for 10h; Schlenk technique; Inert atmosphere;
Stage #2: p-tolylzinc(II) chloride In tetrahydrofuran; 1-methyl-pyrrolidin-2-one at 100℃; for 10h; Inert atmosphere; Schlenk technique;		86%
methyl chlorobenzoate
610-96-8

methyl chlorobenzoate

4-methylphenylboronic acid
5720-05-8

4-methylphenylboronic acid

methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

Conditions
ConditionsYield
With potassium fluoride; palladium diacetate In toluene at 80℃; for 2h; Suzuki-Miyaura coupling;85%
With potassium phosphate; triphenylphosphine; bis(triphenylphosphine)nickel(II) chloride In toluene at 100℃; for 2h; Substitution;83%
methyl 2-((methylsulfonyl)oxy)benzoate
95667-98-4

methyl 2-((methylsulfonyl)oxy)benzoate

p-tolylzinc bromide
126403-71-2

p-tolylzinc bromide

methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

Conditions
ConditionsYield
With hydrogenchloride; n-butyllithium; triphenylphosphine; lithium chloride; nickel dichloride In tetrahydrofuran; water82%
With hydrogenchloride; n-butyllithium; triphenylphosphine; lithium chloride; nickel dichloride In tetrahydrofuran; water82%
o-tolylbenzoic acid
7148-03-0

o-tolylbenzoic acid

carbonic acid dimethyl ester
616-38-6

carbonic acid dimethyl ester

methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

Conditions
ConditionsYield
With sulfuric acid; acetic acid for 10h; Neat (no solvent); Reflux;75.23%
methyl 2-((N,N-dimethylsulfamoyl)oxy)benzoate

methyl 2-((N,N-dimethylsulfamoyl)oxy)benzoate

p-tolylzinc(II) chloride
90252-89-4

p-tolylzinc(II) chloride

methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

Conditions
ConditionsYield
With 1-Methylpyrrolidine; C20H20ClN3Ni In tetrahydrofuran at 50℃; for 12h; Schlenk technique; Inert atmosphere;62%
o-iodo-methyl-benzoic acid
610-97-9

o-iodo-methyl-benzoic acid

4-methylphenylboronic acid
5720-05-8

4-methylphenylboronic acid

methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

Conditions
ConditionsYield
With tris(dibenzylideneacetone)dipalladium(0) chloroform complex; potassium carbonate; N-benzyl-N-(1-octynyl)-p-toluenesulfonamide In water; acetonitrile at 0 - 70℃; under 760.051 Torr; for 18h; Suzuki-Miyaura Coupling; Inert atmosphere;27%
palladium
With bis-triphenylphosphine-palladium(II) chloride; sodium carbonate In tetrahydrofuran; water at 20 - 80℃; Suzuki Coupling; Schlenk technique; Inert atmosphere;
4-tolyl iodide
624-31-7

4-tolyl iodide

o-iodo-methyl-benzoic acid
610-97-9

o-iodo-methyl-benzoic acid

methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

Conditions
ConditionsYield
With copper at 210℃; for 1h;11%
With bis-triphenylphosphine-palladium(II) chloride; tributyltin chloride; iodine; magnesium; lithium chloride 1.) THF, reflux, 30 min; THF, reflux, 20 h, 2.) DMF, 98 deg C, 24 h; Yield given. Multistep reaction;
sodium methylate
124-41-4

sodium methylate

2,6-di-tert-butyl-4-methylphenyl 4'-methylbiphenyl-2-carboxylate
146017-83-6

2,6-di-tert-butyl-4-methylphenyl 4'-methylbiphenyl-2-carboxylate

methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

Conditions
ConditionsYield
In toluene for 2.5h; Heating;
para-bromotoluene
106-38-7

para-bromotoluene

o-iodo-methyl-benzoic acid
610-97-9

o-iodo-methyl-benzoic acid

methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

Conditions
ConditionsYield
With bis(triphenylphosphine)nickel(II) chloride; n-butyllithium; methylmagnesium bromide; zinc(II) chloride Yield given. Multistep reaction;
4-methylphenylboronic acid
5720-05-8

4-methylphenylboronic acid

methyl 2-((methylsulfonyl)oxy)benzoate
95667-98-4

methyl 2-((methylsulfonyl)oxy)benzoate

methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

Conditions
ConditionsYield
With 1,1'-bis-(diphenylphosphino)ferrocene; potassium phosphate; n-butyllithium; [1,1'-bis(diphenylphosphino)ferrocene]nickel(II) chloride; potassium iodide 1.) toluene, room temperature, 30 min, 2.) toluene, 80 deg C, 16 h; Yield given. Multistep reaction;
MeO-PEG5000-[2-(4-methylphenyl)benzoate]

MeO-PEG5000-[2-(4-methylphenyl)benzoate]

methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

Conditions
ConditionsYield
With potassium cyanide In methanol at 20℃;
methanol
67-56-1

methanol

ethyl 4′-methyl-[1,1′-biphenyl]-2-carboxylate
143573-45-9

ethyl 4′-methyl-[1,1′-biphenyl]-2-carboxylate

methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

Conditions
ConditionsYield
With boron trifluoride diethyl etherate Heating;
ethyl 2-chlorobenzoate
7335-25-3

ethyl 2-chlorobenzoate

methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: K3PO4; 2-(dicyclohexylphosphino)biphenyl based D-gluconamide / Pd(OAc)2 / H2O / 16 h / 80 °C
2: BF3*OEt2 / Heating
View Scheme
4-methylphenylboronic acid
5720-05-8

4-methylphenylboronic acid

methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: K3PO4; 2-(dicyclohexylphosphino)biphenyl based D-gluconamide / Pd(OAc)2 / H2O / 16 h / 80 °C
2: BF3*OEt2 / Heating
View Scheme
Multi-step reaction with 2 steps
1: PdCl2; aq. NaOH
2: benzene; methanol; hexane
View Scheme
Multi-step reaction with 2 steps
1: PdCl2; aq. NaOH
2: MeOH / hexane; benzene
View Scheme
Multi-step reaction with 2 steps
1: palladium diacetate; triphenylphosphine / acetonitrile
2: water / Acidic conditions
View Scheme
Multi-step reaction with 2 steps
1.1: palladium diacetate / water / 0.08 h / 20 °C / Inert atmosphere
1.2: 5 h / Inert atmosphere; Reflux
2.1: sulfuric acid / 5 h / Reflux
View Scheme
2-bromobenzoic-acid
88-65-3

2-bromobenzoic-acid

methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: PdCl2; aq. NaOH
2: benzene; methanol; hexane
View Scheme
Multi-step reaction with 2 steps
1: PdCl2; aq. NaOH
2: MeOH / hexane; benzene
View Scheme
Multi-step reaction with 2 steps
1: sulfuric acid / 5 h / Reflux
2: palladium diacetate; sodium carbonate; dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane / acetonitrile; water / Reflux
View Scheme
Multi-step reaction with 2 steps
1.1: palladium diacetate / water / 0.08 h / 20 °C / Inert atmosphere
1.2: 5 h / Inert atmosphere; Reflux
2.1: sulfuric acid / 5 h / Reflux
View Scheme
2,6-di-tert-butyl-4-methylphenyl 2-methoxybenzoate
137600-70-5

2,6-di-tert-butyl-4-methylphenyl 2-methoxybenzoate

methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 91 percent / diethyl ether; various solvent(s) / room temp., 17 h; reflux, 1 h
2: toluene; various solvent(s) / 2.5 h / Heating
View Scheme
2-Methoxybenzoic acid
579-75-9

2-Methoxybenzoic acid

methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 92 percent / trifluoroacetic anhydride / benzene / 23 h / Ambient temperature
2: 91 percent / diethyl ether; various solvent(s) / room temp., 17 h; reflux, 1 h
3: toluene; various solvent(s) / 2.5 h / Heating
View Scheme
Multi-step reaction with 6 steps
1: 95 percent / thionyl chloride / 18 h / 20 °C
2: CH2Cl2 / 2 h / 20 °C
3: thionyl chloride / 1 h / 25 °C
4: tetrahydrofuran / 2 h / 20 °C
5: 88 percent / 4.5 N aq. HCl / 12 h / Heating
6: 1.) acetyl chloride / 1.) 0 deg C, 0.25 h, 2.) reflux, 4 h
View Scheme
2-(2-methoxyphenyl)-4,4-dimethyl-2-oxazoline
57598-33-1

2-(2-methoxyphenyl)-4,4-dimethyl-2-oxazoline

methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: tetrahydrofuran / 2 h / 20 °C
2: 88 percent / 4.5 N aq. HCl / 12 h / Heating
3: 1.) acetyl chloride / 1.) 0 deg C, 0.25 h, 2.) reflux, 4 h
View Scheme
Multi-step reaction with 3 steps
1: magnesium / tetrahydrofuran
2: hydrogenchloride
3: methanol
View Scheme
N-(2-hydroxy-1,1-dimethyl)-2-methoxybenzamide
74201-13-1

N-(2-hydroxy-1,1-dimethyl)-2-methoxybenzamide

methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: thionyl chloride / 1 h / 25 °C
2: tetrahydrofuran / 2 h / 20 °C
3: 88 percent / 4.5 N aq. HCl / 12 h / Heating
4: 1.) acetyl chloride / 1.) 0 deg C, 0.25 h, 2.) reflux, 4 h
View Scheme
4,4-dimethyl-2-(4'-methyl-biphenyl-2-yl)-4,5-dihydrooxazole
84392-32-5

4,4-dimethyl-2-(4'-methyl-biphenyl-2-yl)-4,5-dihydrooxazole

methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 88 percent / 4.5 N aq. HCl / 12 h / Heating
2: 1.) acetyl chloride / 1.) 0 deg C, 0.25 h, 2.) reflux, 4 h
View Scheme
Multi-step reaction with 2 steps
1: hydrogenchloride
2: methanol
View Scheme
2-Methoxybenzoyl chloride
21615-34-9

2-Methoxybenzoyl chloride

methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: CH2Cl2 / 2 h / 20 °C
2: thionyl chloride / 1 h / 25 °C
3: tetrahydrofuran / 2 h / 20 °C
4: 88 percent / 4.5 N aq. HCl / 12 h / Heating
5: 1.) acetyl chloride / 1.) 0 deg C, 0.25 h, 2.) reflux, 4 h
View Scheme
ethylene diaminetetracetic acid

ethylene diaminetetracetic acid

para-bromotoluene
106-38-7

para-bromotoluene

o-iodo-methyl-benzoic acid
610-97-9

o-iodo-methyl-benzoic acid

methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

Conditions
ConditionsYield
With n-butyllithium; Zinc chloride; tetrakis(triphenylphosphine)palladium (0) In tetrahydrofuran; hexane; chloroform; water
With n-butyllithium; Zinc chloride; tetrakis(triphenylphosphine)palladium (0) In tetrahydrofuran; hexane; chloroform; water
...Expand
methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

o-tolylbenzoic acid
7148-03-0

o-tolylbenzoic acid

Conditions
ConditionsYield
With sodium hydroxide In methanol; water Heating;99%
With sodium hydroxide In ethanol for 18h; Ambient temperature;47%
With sodium hydroxide In ethanol for 5h; Reflux;43%
methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

A

C15H12Br2O2

C15H12Br2O2

B

Methyl 4'-(bromomethyl)biphenyl-2-carboxylate
114772-38-2

Methyl 4'-(bromomethyl)biphenyl-2-carboxylate

Conditions
ConditionsYield
With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; 2,2'-azobis(isobutyronitrile) In chloroform at 60 - 65℃;A n/a
B 92.6%
methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

Methyl 4'-(bromomethyl)biphenyl-2-carboxylate
114772-38-2

Methyl 4'-(bromomethyl)biphenyl-2-carboxylate

Conditions
ConditionsYield
With N-Bromosuccinimide In dichloromethane at 25℃; for 5h; Temperature; Irradiation; Large scale;90%
With N-Bromosuccinimide; dibenzoyl peroxide In tetrachloromethane Reflux;88%
With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) In tetrachloromethane85%
methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

methyl 4-(bromomethyl)-[1,1’-biphenyl]-2-carboxylate
152620-34-3

methyl 4-(bromomethyl)-[1,1’-biphenyl]-2-carboxylate

Conditions
ConditionsYield
With sulfuric acid; sodium bromide In dichloromethane; water at 25℃;80.5%
(S,Z)-1-(2-bromophenyl)-3-iodo-3-(trimethylsilyl)prop-2-en-1-ol

(S,Z)-1-(2-bromophenyl)-3-iodo-3-(trimethylsilyl)prop-2-en-1-ol

methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

(Ra)-(1-(4'-methyl-[1,1'-biphenyl]-2-yl)naphthalen-2-yl)trimethylsilane

(Ra)-(1-(4'-methyl-[1,1'-biphenyl]-2-yl)naphthalen-2-yl)trimethylsilane

Conditions
ConditionsYield
Stage #1: (S,Z)-1-(2-bromophenyl)-3-iodo-3-(trimethylsilyl)prop-2-en-1-ol With isopropylmagnesium chloride; magnesium; lithium chloride In diethyl ether at 40℃; for 0.75h; Inert atmosphere;
Stage #2: methyl 4'-methylbiphenyl-2-carboxylate In diethyl ether at 20℃; for 1h; Inert atmosphere;
Stage #3: With titanium tetra-n-propoxide In tetrahydrofuran; diethyl ether at 20℃; for 3h; Inert atmosphere; stereoselective reaction;		65%
phthalic anhydride
85-44-9

phthalic anhydride

methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

A

1-(2-carboxybenzoyl)-2-methylfluorenone

1-(2-carboxybenzoyl)-2-methylfluorenone

B

3'-(2-Carboxy-benzoyl)-4'-methyl-biphenyl-2-carboxylic acid methyl ester

3'-(2-Carboxy-benzoyl)-4'-methyl-biphenyl-2-carboxylic acid methyl ester

Conditions
ConditionsYield
With aluminium trichloride; N,N-dimethyl-formamide at 70℃; for 1h;A 7%
B 60%
With aluminium trichloride; N,N-dimethyl-formamide at 70℃; for 1h;A 5%
B 60%
...Expand
methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

methyl 4'-cyano-[1,1'-biphenyl]-2-carboxylate

methyl 4'-cyano-[1,1'-biphenyl]-2-carboxylate

Conditions
ConditionsYield
With hydroxylamine hydrochloride; 2,4,6-triphenylpyrylium tetrafluoroborate; oxygen; ammonium bromide In acetonitrile at 40℃; under 750.075 Torr; for 24h; Molecular sieve; Irradiation;60%
azobisisobutyronitrile
34241-39-9

azobisisobutyronitrile

methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

Methyl 4'-(bromomethyl)biphenyl-2-carboxylate
114772-38-2

Methyl 4'-(bromomethyl)biphenyl-2-carboxylate

Conditions
ConditionsYield
With N-Bromosuccinimide In tetrachloromethane59%
With N-Bromosuccinimide In tetrachloromethane
methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

(4′-methyl-[1,1′-biphenyl]-2-yl)methanol
114772-78-0

(4′-methyl-[1,1′-biphenyl]-2-yl)methanol

Conditions
ConditionsYield
With diisobutylaluminium hydride In toluene at -78 - -70℃; for 0.25h;42.55 g
methyl 4'-methylbiphenyl-2-carboxylate
114772-34-8

methyl 4'-methylbiphenyl-2-carboxylate

C14H12(2)H2O

C14H12(2)H2O

Conditions
ConditionsYield
With lithium aluminium deuteride

Methyl 4'-methylbiphenyl-2-carboxylate Specification

The 4'-Methylbiphenyl-2-carboxylic acid methyl ester, with the CAS registry number 114772-34-8, has the systematic name of methyl 4'-methylbiphenyl-2-carboxylate. It belongs to the following product categories: Aromatic Esters; Intermediatesof; Biphenyl & Diphenyl ether; Organic acids. And the molecular formula of this chemical is C15H14O2. What's more, it is usually used as dye and medicine intermediate.

The physical properties of 4'-Methylbiphenyl-2-carboxylic acid methyl ester are as followings: (1)ACD/LogP: 3.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.86; (4)ACD/LogD (pH 7.4): 3.86; (5)ACD/BCF (pH 5.5): 508.4; (6)ACD/BCF (pH 7.4): 508.4; (7)ACD/KOC (pH 5.5): 3010.95; (8)ACD/KOC (pH 7.4): 3010.95; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 67.44 cm3; (15)Molar Volume: 208.8 cm3; (16)Polarizability: 26.73×10-24cm3; (17)Surface Tension: 39.3 dyne/cm; (18)Density: 1.083 g/cm3; (19)Flash Point: 164.3 °C; (20)Enthalpy of Vaporization: 60.5 kJ/mol; (21)Boiling Point: 359.4 °C at 760 mmHg; (22)Vapour Pressure: 2.39E-05 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c2ccccc2c1ccc(cc1)C
(2)InChI: InChI=1/C15H14O2/c1-11-7-9-12(10-8-11)13-5-3-4-6-14(13)15(16)17-2/h3-10H,1-2H3
(3)InChIKey: IHNIAWHITVGYJJ-UHFFFAOYAO

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