Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

3-(4'-Bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydro-1-naphthalenol
Related Products

Hot Products

Basic Information Post buying leads Suppliers Cas Database
Name

3-(4'-Bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydro-1-naphthalenol

 EINECS 260-038-0
CAS No. 56181-82-9 Density 1.359 g/cm3
PSA 20.23000 LogP 5.87950
Solubility N/A Melting Point N/A
Formula C22H19BrO Boiling Point 512.8 °C at 760 mmHg
Molecular Weight 379.296 Flash Point 263.9 °C
Transport Information N/A Appearance Cream To Pale Solid Powder.
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 56181-82-9 (3-(4'-Bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydro-1-naphthalenol) Hazard Symbols N/A
Synonyms

56181-82-9

Article Data 1

3-(4'-Bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydro-1-naphthalenol Synthetic route

60313-01-1

3-(4''-Bromobiphenyl-4'-yl)-1,2,3,4-tetrahydronaphthalen-1-one

56181-82-9

(+/-)-cis/trans-3-(4''-Bromobiphenyl-4'-yl)-1,2,3,4-tetrahydronaphthalen-1-ol

Conditions
ConditionsYield
With sodium tetrahydroborate In ethanol at 20℃; for 2h;85%
92-66-0

4-bromo-1,1'-biphenyl

K4[Fe(CN)6]

K4[Fe(CN)6]

56181-82-9

(+/-)-cis/trans-3-(4''-Bromobiphenyl-4'-yl)-1,2,3,4-tetrahydronaphthalen-1-ol

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: 88 percent / AlCl3 / CH2Cl2 / 16 h / -10 °C
2: 95 percent / Zn; I2 / benzene / 1 h / Heating
3: 85 percent / Et3SiH; TFA; BF3*Et2O / CH2Cl2 / 8 h / Heating
4: 93 percent / aq. KOH / 8 h / Heating
5: 80 percent / polyphosphoric acid / 1 h / 80 °C
6: 85 percent / NaBH4 / ethanol / 2 h / 20 °C
View Scheme
60312-95-0

1-[4'-bromo(1,1'-biphenyl)-4-yl]-2-phenylethan-1-one

56181-82-9

(+/-)-cis/trans-3-(4''-Bromobiphenyl-4'-yl)-1,2,3,4-tetrahydronaphthalen-1-ol

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 95 percent / Zn; I2 / benzene / 1 h / Heating
2: 85 percent / Et3SiH; TFA; BF3*Et2O / CH2Cl2 / 8 h / Heating
3: 93 percent / aq. KOH / 8 h / Heating
4: 80 percent / polyphosphoric acid / 1 h / 80 °C
5: 85 percent / NaBH4 / ethanol / 2 h / 20 °C
View Scheme
103-80-0

phenylacetyl chloride

56181-82-9

(+/-)-cis/trans-3-(4''-Bromobiphenyl-4'-yl)-1,2,3,4-tetrahydronaphthalen-1-ol

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: 88 percent / AlCl3 / CH2Cl2 / 16 h / -10 °C
2: 95 percent / Zn; I2 / benzene / 1 h / Heating
3: 85 percent / Et3SiH; TFA; BF3*Et2O / CH2Cl2 / 8 h / Heating
4: 93 percent / aq. KOH / 8 h / Heating
5: 80 percent / polyphosphoric acid / 1 h / 80 °C
6: 85 percent / NaBH4 / ethanol / 2 h / 20 °C
View Scheme
124325-90-2

3-(4'-Bromo-biphenyl-4-yl)-4-phenyl-butyric acid ethyl ester

56181-82-9

(+/-)-cis/trans-3-(4''-Bromobiphenyl-4'-yl)-1,2,3,4-tetrahydronaphthalen-1-ol

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 93 percent / aq. KOH / 8 h / Heating
2: 80 percent / polyphosphoric acid / 1 h / 80 °C
3: 85 percent / NaBH4 / ethanol / 2 h / 20 °C
View Scheme
124325-89-9

3-(4'-Bromo-biphenyl-4-yl)-4-phenyl-butyric acid

56181-82-9

(+/-)-cis/trans-3-(4''-Bromobiphenyl-4'-yl)-1,2,3,4-tetrahydronaphthalen-1-ol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 80 percent / polyphosphoric acid / 1 h / 80 °C
2: 85 percent / NaBH4 / ethanol / 2 h / 20 °C
View Scheme
124325-88-8

3-(4'-bromo-biphenyl-4-yl)-3-hydroxy-4-phenyl-butyric acid ethyl ester

56181-82-9

(+/-)-cis/trans-3-(4''-Bromobiphenyl-4'-yl)-1,2,3,4-tetrahydronaphthalen-1-ol

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 85 percent / Et3SiH; TFA; BF3*Et2O / CH2Cl2 / 8 h / Heating
2: 93 percent / aq. KOH / 8 h / Heating
3: 80 percent / polyphosphoric acid / 1 h / 80 °C
4: 85 percent / NaBH4 / ethanol / 2 h / 20 °C
View Scheme
56181-82-9

(+/-)-cis/trans-3-(4''-Bromobiphenyl-4'-yl)-1,2,3,4-tetrahydronaphthalen-1-ol

70942-04-0

1-Bromo-3-(4'-bromo-biphenyl-4-yl)-1,2,3,4-tetrahydro-naphthalene

Conditions
ConditionsYield
With phosphorus tribromide In dichloromethane at 0℃;94%
With phosphorus tribromide In dichloromethane at -10℃; for 1h;
1076-38-6

4-hydroxy[1]benzopyran-2-one

56181-82-9

(+/-)-cis/trans-3-(4''-Bromobiphenyl-4'-yl)-1,2,3,4-tetrahydronaphthalen-1-ol

(3-[(1R,3S)-3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxychromen-2-one)

(3-[(1R,3R)-3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxychromen-2-one)

Conditions
ConditionsYield
With hydrogenchloride at 160℃; for 0.5h; Yield given. Yields of byproduct given;
56181-82-9

(+/-)-cis/trans-3-(4''-Bromobiphenyl-4'-yl)-1,2,3,4-tetrahydronaphthalen-1-ol

3-[3-(4'-bromo-biphenyl-4-yl)-1,2,3,4-tetrahydro-naphthalen-1-yl]-4-hydroxy-6-methyl-6-phenyl-5,6-dihydro-pyran-2-one

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: PBr3 / CH2Cl2 / 1 h / -10 °C
2.1: NaH / tetrahydrofuran / 0.5 h / 0 °C
2.2: 61 percent / tetrahydrofuran / 2 h / Heating
View Scheme

3-(4'-Bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydro-1-naphthalenol Specification

The 3-(4'-Bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydro-1-naphthalenol, with cas registry number 56181-82-9, has the systematic name of 3-(4'-bromobiphenyl-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol. And its IUPAC name is 3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-ol.

Physical properties about this chemical are: (1)ACD/LogP: 6.40; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.4; (4)ACD/LogD (pH 7.4): 6.4; (5)ACD/BCF (pH 5.5): 42824.56; (6)ACD/BCF (pH 7.4): 42824.56; (7)ACD/KOC (pH 5.5): 71936.34; (8)ACD/KOC (pH 7.4): 71936.34; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.646; (14)Molar Refractivity: 101.35 cm3; (15)Molar Volume: 278.9 cm3; (16)Polarizability: 40.18×10-24cm3; (17)Surface Tension: 48.8 dyne/cm; (18)Enthalpy of Vaporization: 82.55 kJ/mol; (19)Vapour Pressure: 2.44E-11 mmHg at 25°C.

Uses of 3-(4'-Bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydro-1-naphthalenol: it can be used to produce 1-bromo-3-(4'-bromo-biphenyl-4-yl)-1,2,3,4-tetrahydro-naphthalene. This reaction will need reagent PBr3 and solvent CH2Cl2. The  temperature of this reaction is 0 ℃. The yield is about 94%.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1)c2ccc(cc2)C4Cc3c(cccc3)C(O)C4
(2)InChI: InChI=1/C22H19BrO/c23-20-11-9-16(10-12-20)15-5-7-17(8-6-15)19-13-18-3-1-2-4-21(18)22(24)14-19/h1-12,19,22,24H,13-14H2
(3)InChIKey: LGYMGAWTNGCUFA-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C22H19BrO/c23-20-11-9-16(10-12-20)15-5-7-17(8-6-15)19-13-18-3-1-2-4-21(18)22(24)14-19/h1-12,19,22,24H,13-14H2
(5)Std. InChIKey: LGYMGAWTNGCUFA-UHFFFAOYSA-N

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 56181-82-9