Product Name

  • Name

    4,4'-Bis(methoxymethyl)-1,1'-biphenyl

  • EINECS
  • CAS No. 3753-18-2
  • Article Data6
  • CAS DataBase
  • Density 1.039 g/cm3
  • Solubility
  • Melting Point 49-50 °C
  • Formula C16H18O2
  • Boiling Point 337.3 °C at 760 mmHg
  • Molecular Weight 242.318
  • Flash Point 125.4 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes R36/37/38
  • Molecular Structure Molecular Structure of 3753-18-2 (4,4'-Bis(methoxymethyl)-1,1'-biphenyl)
  • Hazard Symbols Xi
  • Synonyms p,p'-Bitolyl,a,a'-dimethoxy- (7CI,8CI);4,4'-Bis(methoxymethyl)biphenyl;
  • PSA 18.46000
  • LogP 3.64640

Synthetic route

biphenyl
92-52-4

biphenyl

Dimethoxymethane
109-87-5

Dimethoxymethane

A

4-(methoxymethyl)-1,1'-biphenyl
86130-05-4

4-(methoxymethyl)-1,1'-biphenyl

B

4,4′-bis(methoxymethyl)biphenyl
3753-18-2

4,4′-bis(methoxymethyl)biphenyl

Conditions
ConditionsYield
mordenite SiO2/Al2O3 90 In cyclohexane at 120℃; for 4h; Product distribution / selectivity;
4-chlorobenzyl methyl ether
1195-44-4

4-chlorobenzyl methyl ether

4,4′-bis(methoxymethyl)biphenyl
3753-18-2

4,4′-bis(methoxymethyl)biphenyl

Conditions
ConditionsYield
With zinc; 5-trimethylsilyl-2,2'-bipyridine; nickel dibromide In 1-methyl-pyrrolidin-2-one at 20 - 70℃; Inert atmosphere;
With zinc; nickel dibromide; 5,5’-bis(trimethylsilyl)-2,2’-bipyridine In 1-methyl-pyrrolidin-2-one at 20 - 70℃; Inert atmosphere;
diethyl 2-(cycloheptene-1-yl)-cyclobuten-1-yl phosphate

diethyl 2-(cycloheptene-1-yl)-cyclobuten-1-yl phosphate

4-(methoxymethyl)phenylzinc chloride lithium chloride

4-(methoxymethyl)phenylzinc chloride lithium chloride

A

4,4′-bis(methoxymethyl)biphenyl
3753-18-2

4,4′-bis(methoxymethyl)biphenyl

B

1-cycloheptenyl-2-[4-(methoxymethyl)phenyl]cyclobutene

1-cycloheptenyl-2-[4-(methoxymethyl)phenyl]cyclobutene

Conditions
ConditionsYield
With aluminum (III) chloride; C36H28Cl2OP2Pd In tetrahydrofuran at 50℃; for 17h; Negishi Coupling; Overall yield = 73 %; Overall yield = 0.451 g;
4,4′-bis(methoxymethyl)biphenyl
3753-18-2

4,4′-bis(methoxymethyl)biphenyl

4,4'-diformylbiphenyl
66-98-8

4,4'-diformylbiphenyl

Conditions
ConditionsYield
With sodium bromate; acetic acid at 90℃; for 1.5h; Product distribution / selectivity;93.3 %Chromat.

4,4'-Bis(methoxymethyl)-1,1'-biphenyl Specification

The 1,1'-Biphenyl,4,4'-bis(methoxymethyl)- is an organic compound with the formula C16H18O2. The IUPAC name of this chemical is 1-(methoxymethyl)-4-[4-(methoxymethyl)phenyl]benzene. With the CAS registry number 3753-18-2, it is also named as 4,4-Bis-(methoxy-mehtyl) biphenyl. The product's categories are Biphenyl Derivatives; Biphenyl & Diphenyl ether. Besides, it should be stored in a dark closed and dry place. It is used for synthesis of flame-retardant resins, in particular for synthesis of  liquid crystal polymer and synthesis of polymer resin.

Physical properties about 1,1'-Biphenyl,4,4'-bis(methoxymethyl)- are: (1)ACD/LogP: 3.45; (2)ACD/LogD (pH 5.5): 3.45; (3)ACD/LogD (pH 7.4): 3.45; (4)ACD/BCF (pH 5.5): 248.17; (5)ACD/BCF (pH 7.4): 248.17; (6)ACD/KOC (pH 5.5): 1802.04; (7)ACD/KOC (pH 7.4): 1802.04; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 18.46 Å2; (11)Index of Refraction: 1.542; (12)Molar Refractivity: 73.43 cm3; (13)Molar Volume: 233 cm3; (14)Polarizability: 29.11×10-24cm3; (15)Surface Tension: 36.5 dyne/cm; (16)Density: 1.039 g/cm3; (17)Flash Point: 125.4 °C; (18)Enthalpy of Vaporization: 55.75 kJ/mol; (19)Boiling Point: 337.3 °C at 760 mmHg; (20)Vapour Pressure: 0.000208 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(C)Cc1ccc(cc1)c2ccc(cc2)COC
(2)InChI: InChI=1/C16H18O2/c1-17-11-13-3-7-15(8-4-13)16-9-5-14(6-10-16)12-18-2/h3-10H,11-12H2,1-2H3
(3)InChIKey: MODAACUAXYPNJH-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C16H18O2/c1-17-11-13-3-7-15(8-4-13)16-9-5-14(6-10-16)12-18-2/h3-10H,11-12H2,1-2H3
(5)Std. InChIKey: MODAACUAXYPNJH-UHFFFAOYSA-N

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