CAS No.57699-45-3,4-(TERT-BUTOXY)BENZALDEHYDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	57699-45-3
Name:	4-(TERT-BUTOXY)BENZALDEHYDE
Article Data:	10

Formula:	C11H14 O2
Molecular Weight:	178.231
Synonyms:	4-((2-Methylpropan-2-yl)oxy)benzaldehyde;4-[(1,1-Dimethylethyl)oxy]benzaldehyde; 4-tert-Butoxybenzaldehyde;p-tert-Butoxybenzaldehyde
EINECS:	260-909-5
Density:	1.023
Boiling Point:	274.1 °C at 760 mmHg ,87-92°C 1,5mm
Flash Point:	114 °C
Solubility:	Insoluble in water
Appearance:	clear yellow-green
Hazard Symbols:
Risk Codes:	R36/37/38
Safety:	26-36
PSA:	26.30000
LogP:	2.67640

Synthetic route

: 1122-91-4
4-bromo-benzaldehyde

: 865-48-5
sodium t-butanolate

: 57699-45-3
p-tert-butoxybenzaldehyde

Conditions

Conditions	Yield
With palladium diacetate; tri-tert-butyl phosphine In xylene at 120℃; for 1h; Substitution; Suzuki coupling;	91%

: 865-47-4
potassium tert-butylate

: 459-57-4
4-fluorobenzaldehyde

: 57699-45-3
p-tert-butoxybenzaldehyde

Conditions

Conditions	Yield
In dimethyl sulfoxide for 0.166667h; Heating; Irradiation;	75%

: 507-20-0
tertiary butyl chloride

: 123-08-0
4-hydroxy-benzaldehyde

: 57699-45-3
p-tert-butoxybenzaldehyde

Conditions

Conditions	Yield
With zinc at 25℃; for 1h; Etherification;	72%

: 865-47-4
potassium tert-butylate

: 104-88-1
4-chlorobenzaldehyde

: 57699-45-3
p-tert-butoxybenzaldehyde

Conditions

Conditions	Yield
In dimethyl sulfoxide for 2h; Heating; Irradiation;	68%

: 104-88-1
4-chlorobenzaldehyde

: 865-48-5
sodium t-butanolate

A: 100-52-7
benzaldehyde

B: 57699-45-3
p-tert-butoxybenzaldehyde

Conditions

Conditions	Yield
With palladium diacetate; tri-tert-butyl phosphine In xylene at 120℃; for 2h; Substitution; Suzuki coupling;	A n/a B 60%

...Expand

: 24424-99-5
di-tert-butyl dicarbonate

: 123-08-0
4-hydroxy-benzaldehyde

: 57699-45-3
p-tert-butoxybenzaldehyde

Conditions

Conditions	Yield
scandium tris(trifluoromethanesulfonate) In dichloromethane at 20℃; for 5h; Product distribution; Further Variations:; Catalysts; Solvents; Temperatures;	48%

: 507-19-7
t-butyl bromide

: 123-08-0
4-hydroxy-benzaldehyde

: 57699-45-3
p-tert-butoxybenzaldehyde

Conditions

Conditions	Yield
With zinc trifluoromethanesulfonate; zinc In toluene at 40℃; for 12h; Sealed tube; Schlenk technique; Molecular sieve;	46%

: 20461-86-3
2,2-diethoxy acetic acid

: 60876-70-2
4-tert-butoxybromobenzene

: 57699-45-3
p-tert-butoxybenzaldehyde

Conditions

Conditions	Yield
With nickel(II) chloride hexahydrate; (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile; caesium carbonate; 4,4'-di-tert-butyl-2,2'-bipyridine In N,N-dimethyl-formamide at 20℃; for 0.6h; Schlenk technique; Inert atmosphere; Flow reactor;	45%

: 123-08-0
4-hydroxy-benzaldehyde

: 115-11-7
isobutene

: 57699-45-3
p-tert-butoxybenzaldehyde

Conditions

Conditions	Yield
With Amberlyst 15 In benzene for 17h; Yield given;

: 51503-08-3
(4-(tert-butoxy)phenyl)methanol

: 57699-45-3
p-tert-butoxybenzaldehyde

Conditions

Conditions	Yield
With oxoammonium resin In dichloromethane at 20℃; for 1h;
With polystyrene-supported 5-hydroxy-2-iodoxybenzoic acid In dichloromethane at 20℃; for 3h;	95 % Chromat.
With oxygen; 6C68H44ClMnN128Zn(2+)12C2F6NO4S2(1-)*4F6P(1-); Flavin mononucleotide; NADH In water; N,N-dimethyl-formamide; acetonitrile at 35℃; under 760.051 Torr; for 10h;	22 %Chromat.

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Chemistry

Product Name: Benzaldehyde,4-(1,1-dimethylethoxy)- (CAS NO.57699-45-3)

Molecular Formula: C₁₁H₁₄O₂
Molecular Weight: 178.23g/mol
Mol File: 57699-45-3.mol
EINECS: 260-909-5
Sensitive: Air Sensitive
Index of Refraction: 1.525
Molar Refractivity: 53.54 cm³
Molar Volume: 174.6 cm³
Surface Tension: 34.5 dyne/cm
Density: 1.02 g/cm³
Flash Point: 114 °C
Enthalpy of Vaporization: 51.25 kJ/mol
Boiling Point: 274.1 °C at 760 mmHg
Vapour Pressure: 0.00552 mmHg at 25°C
XLogP3-AA: 2.7
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of Benzaldehyde,4-(1,1-dimethylethoxy)- (CAS NO.57699-45-3):
IUPAC Name: 4-[(2-methylpropan-2-yl)oxy]benzaldehyde
Canonical SMILES: CC(C)(C)OC1=CC=C(C=C1)C=O
InChI: InChI=1S/C11H14O2/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-8H,1-3H3
InChIKey: VWSFZYXXQDKXKQ-UHFFFAOYSA-N
Product Categories: Aromatic Aldehydes & Derivatives (substituted); Aldehydes; C10 to C21; Carbonyl Compounds

Safety Profile

Safety Information of Benzaldehyde,4-(1,1-dimethylethoxy)- (CAS NO.57699-45-3):
Hazard Codes: Xi Irritant
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
F: 10-23

Specification

Benzaldehyde,4-(1,1-dimethylethoxy)- , its CAS NO. is 57699-45-3, the synonyms are p-tert-Butoxybenzaldehyde ; 4-(tert-Butyloxy)benzaldehyde ; 1-tert-Butoxy-4-formylbenzene .