ChemicalBook--->CAS DataBase List--->4397-53-9

4397-53-9

4397-53-9 Structure

4397-53-9 Structure
IdentificationMore
[Name]

4-Benzyloxybenzaldehyde
[CAS]

4397-53-9
[Synonyms]

4-BENZYLOXYBENZALDEHYDE
AKOS AU36-M28
AKOS BBS-00003143
ASISCHEM R39515
LABOTEST-BB LT00233210
OTAVA-BB BB7018801949
PARA-BENZYLOXYBENZALDEHYDE
P-(BENZYLOXY)BENZALDEHYDE
P-BENZYLOXY BENZALDEYHDE
TIMTEC-BB SBB000526
4-(Phenylmethoxy)benzaldehyde
Benzaldehyde, 4-(phenylmethoxy)-
Benzaldehyde, p-(benzyloxy)-
4-Benzyloxybenzaldehyde99%
4-Benzyloxybenzaldehyde, 97+%
4-Benzyloxybenzaldehyde 99%
4-BENXYLOXYBENZALDEHYDE
[EINECS(EC#)]

224-527-2
[Molecular Formula]

C14H12O2
[MDL Number]

MFCD00003387
[Molecular Weight]

212.24
[MOL File]

4397-53-9.mol
Chemical PropertiesBack Directory
[Appearance]

creamish to yellow crystalline powder
[Melting point ]

71-74 °C (lit.)
[Boiling point ]

197-199 °C (11 mmHg)
[density ]

1.1035 (rough estimate)
[refractive index ]

1.6000 (estimate)
[Fp ]

197-199°C/20mm
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Sparingly)
[form ]

Crystalline Powder
[color ]

Creamish to yellow
[Water Solubility ]

insoluble
[Sensitive ]

Air Sensitive
[BRN ]

1242385
[InChI]

1S/C14H12O2/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-10H,11H2
[InChIKey]

ZVTWZSXLLMNMQC-UHFFFAOYSA-N
[SMILES]

[H]C(=O)c1ccc(OCc2ccccc2)cc1
[LogP]

3.360 (est)
[CAS DataBase Reference]

4397-53-9(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzyl 4-formylphenyl ether(4397-53-9)
[EPA Substance Registry System]

4397-53-9(EPA Substance)
Safety DataBack Directory
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[F ]

9-23
[TSCA ]

Yes
[HazardClass ]

IRRITANT
[HS Code ]

29124900
[Storage Class]

11 - Combustible Solids
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Benzyloxybenzaldehyde(4397-53-9).msds
Hazard InformationBack Directory
[Chemical Properties]

creamish to yellow crystalline powder
[Uses]

4-Benzyloxybenzaldehyde is a position isomer of the adenylyl cyclase activator 2-Benzyloxybenzaldehyde. 4-Benzyloxybenzaldehyde also has much less potent anticancer activity against HL-60 cells that i ts isomeric counterpart.
[Uses]

4-Benzyloxybenzaldehyde is used in the synthesis of (5-fluoro-(2R*,3S*)-2,3-bis(4-hydroxyphenyl)pentanenitrile),an estrogen receptor β-selective ligand. It is a position isomer of the adenylyl cyclase activator 2-benzyloxybenzaldehyde.
[Synthesis Reference(s)]

Journal of Medicinal Chemistry, 32, p. 192, 1989 DOI: 10.1021/jm00121a035
[General Description]

4-(Benzyloxy)benzaldehyde was used in the synthesis of (5-fluoro-(2R*,3S*)-2,3-bis(4-hydroxyphenyl)pentanenitrile),an estrogen receptor β-selective ligand.
[Synthesis]

P-hydroxybenzaldehyde 5g (41mmol) and potassium carbonate 11.3g into a three-necked flask, add N, N-dimethylformamide (DMF) 25ml, stirring for 15min to form a suspension, dropwise addition of benzyl chloride 5.7g (45mmol), the reaction at room temperature
Spectrum DetailBack Directory
[Spectrum Detail]

4-Benzyloxybenzaldehyde(4397-53-9)MS
4-Benzyloxybenzaldehyde(4397-53-9)1HNMR
4-Benzyloxybenzaldehyde(4397-53-9)13CNMR
4-Benzyloxybenzaldehyde(4397-53-9)IR1
4-Benzyloxybenzaldehyde(4397-53-9)IR2
4-Benzyloxybenzaldehyde(4397-53-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Benzyloxybenzaldehyde, 98%(4397-53-9)
[Alfa Aesar]

4-Benzyloxybenzaldehyde, 98%(4397-53-9)
[Sigma Aldrich]

4397-53-9(sigmaaldrich)
[TCI AMERICA]

4-Benzyloxybenzaldehyde,>98.0%(GC)(4397-53-9)
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