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CAS No.: | 3753-18-2 |
---|---|
Name: | 4,4'-Bis(methoxymethyl)-1,1'-biphenyl |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C16H18O2 |
Molecular Weight: | 242.318 |
Synonyms: | p,p'-Bitolyl,a,a'-dimethoxy- (7CI,8CI);4,4'-Bis(methoxymethyl)biphenyl; |
Density: | 1.039 g/cm3 |
Melting Point: | 49-50 °C |
Boiling Point: | 337.3 °C at 760 mmHg |
Flash Point: | 125.4 °C |
Hazard Symbols: | Xi |
Risk Codes: | R36/37/38 |
PSA: | 18.46000 |
LogP: | 3.64640 |
biphenyl
Dimethoxymethane
A
4-(methoxymethyl)-1,1'-biphenyl
B
4,4′-bis(methoxymethyl)biphenyl
Conditions | Yield |
---|---|
mordenite SiO2/Al2O3 90 In cyclohexane at 120℃; for 4h; Product distribution / selectivity; |
Conditions | Yield |
---|---|
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; |
A
4,4′-bis(methoxymethyl)biphenyl
Conditions | Yield |
---|---|
With aluminum (III) chloride; C36H28Cl2OP2Pd In tetrahydrofuran at 50℃; for 17h; Negishi Coupling; Overall yield = 73 %; Overall yield = 0.451 g; |
Conditions | Yield |
---|---|
With sodium bromate; acetic acid at 90℃; for 1.5h; Product distribution / selectivity; | 93.3 %Chromat. |
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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