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

2,4-Di-tert-butyl-5-nitrophenyl methyl carbonate
Related Products

Hot Products

Basic Information Post buying leads Suppliers Cas Database
Name

2,4-Di-tert-butyl-5-nitrophenyl methyl carbonate

 EINECS N/A
CAS No. 873055-55-1 Density 1.11 g/cm3
PSA 81.35000 LogP 4.85820
Solubility N/A Melting Point N/A
Formula C16H23NO5 Boiling Point 383.484 °C at 760 mmHg
Molecular Weight 309.362 Flash Point 134.684 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 873055-55-1 (2,4-Di-tert-butyl-5-nitrophenyl methyl carbonate) Hazard Symbols N/A
Synonyms

(2,4-Ditert-butyl-5-nitro-phenyl) methyl carbonate;Carbonic acid 2,4-bis(1,1-dimethylethyl)-5-nitrophenyl methyl ester;

Article Data 34

2,4-Di-tert-butyl-5-nitrophenyl methyl carbonate Synthetic route

873055-54-0

carbonic acid 2,4-di-tert-butyl-phenyl ester methyl ester

873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

Conditions
ConditionsYield
With aluminum (III) chloride; sodium nitrate In dichloromethane at -21 - -12℃; Temperature; Large scale;83.6%
With sulfuric acid; nitric acid at 0 - 5℃; for 2.5h;40%
Stage #1: carbonic acid 2,4-di-tert-butyl-phenyl ester methyl ester With sulfuric acid In dichloromethane at -5 - 0℃;
Stage #2: With nitric acid In dichloromethane at -5 - 0℃; Product distribution / selectivity;
873055-54-0

carbonic acid 2,4-di-tert-butyl-phenyl ester methyl ester

A

873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

B

873055-56-2

carbonic acid 2,4-di(tert-butyl)-6-nitrophenyl ester methyl ester

Conditions
ConditionsYield
With sulfuric acid; nitric acid at 0 - 50℃; for 2h;
With sulfuric acid; nitric acid at 20 - 50℃; Cooling with ice;
With nitric acid In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; sulfuric acid

carbonic acid 2,4-di-tert-butyl-phenyl ester methyl ester

A

873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

B

873055-56-2

carbonic acid 2,4-di(tert-butyl)-6-nitrophenyl ester methyl ester

Conditions
ConditionsYield
With sulfuric acid; nitric acid at 0 - 50℃; for 2h;
96-76-4

2,4-di-tert-Butylphenol

873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: triethylamine / diethyl ether / 0 - 20 °C
2: nitric acid; sulfuric acid / 1 h / 0 - 20 °C
View Scheme
Multi-step reaction with 2 steps
1.1: triethylamine / diethyl ether / 2 h / 0 - 20 °C
2.1: sulfuric acid / dichloromethane / 4.5 h / -5 - 0 °C
2.2: -5 - 5 °C
View Scheme
Multi-step reaction with 2 steps
1: triethylamine / diethyl ether / 0 - 20 °C
2: sulfuric acid; nitric acid / 1 h / 0 - 20 °C
View Scheme
873055-54-0

carbonic acid 2,4-di-tert-butyl-phenyl ester methyl ester

96042-30-7

4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran

873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

Conditions
ConditionsYield
With sulfuric acid; nitric acid; sodium sulfate In hexane; water
With nitric acid; sodium sulfate
96-76-4

2,4-di-tert-Butylphenol

A

873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

B

873055-56-2

carbonic acid 2,4-di(tert-butyl)-6-nitrophenyl ester methyl ester

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: dmap; triethylamine / dichloromethane / 16 h / 0 - 25 °C
2: sulfuric acid; nitric acid / 2 h / 25 °C / Cooling
View Scheme
Multi-step reaction with 2 steps
1: triethylamine / diethyl ether
2: nitric acid / (2S)-N-methyl-1-phenylpropan-2-amine hydrate; sulfuric acid
View Scheme
Multi-step reaction with 2 steps
1: triethylamine; dmap / dichloromethane / 0 - 20 °C
2: nitric acid; sulfuric acid / 2 h / Cooling with ice
View Scheme
96-76-4

2,4-di-tert-Butylphenol

79-22-1

methyl chloroformate

873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

Conditions
ConditionsYield
Stage #1: 2,4-di-tert-Butylphenol; methyl chloroformate With dmap; triethylamine In dichloromethane at 0 - 5℃; for 2h;
Stage #2: With sulfuric acid; nitric acid at 0 - 5℃; for 1.5h;		4.0 g
873055-57-3

2,4-di-tert-butyl-5-nitro-phenol

79-22-1

methyl chloroformate

873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

Conditions
ConditionsYield
With dmap; triethylamine In dichloromethane at 0 - 30℃;36.6 g
873055-54-0

carbonic acid 2,4-di-tert-butyl-phenyl ester methyl ester

A

873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

B

873055-56-2

carbonic acid 2,4-di(tert-butyl)-6-nitrophenyl ester methyl ester

C

C12H15NO5

Conditions
ConditionsYield
With sulfuric acid; nitric acid at -5 - 0℃; for 4h; Reagent/catalyst; Temperature;
873055-54-0

carbonic acid 2,4-di-tert-butyl-phenyl ester methyl ester

A

873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

B

C12H15NO5

Conditions
ConditionsYield
With aluminum (III) chloride; chloro-trimethyl-silane; potassium nitrate In dichloromethane at 20℃; Temperature;

2,4-Di-tert-butyl-5-nitrophenyl methyl carbonate Specification

This product is an organic compound with the formula C16H23NO5. The systematic name of this chemical is 2,4-Di-tert-butyl-5-nitrophenyl methyl carbonate. With the CAS registry number 873055-55-1, it is also named as Carbonic acid 2,4-bis(1,1-dimethylethyl)-5-nitrophenyl methyl ester. In addition, the molecular weight is 309.36.

Physical properties of 2,4-Di-tert-butyl-5-nitrophenyl methyl carbonate are: (1)ACD/LogP: 4.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.679; (4)ACD/LogD (pH 7.4): 4.679; (5)ACD/BCF (pH 5.5): 2118.147; (6)ACD/BCF (pH 7.4): 2118.147; (7)ACD/KOC (pH 5.5): 8362.114; (8)ACD/KOC (pH 7.4): 8362.114; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 81.35 Å2; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 82.659 cm3; (15)Molar Volume: 278.641 cm3; (16)Polarizability: 32.769×10-24cm3; (17)Surface Tension: 35.474 dyne/cm; (18)Density: 1.11 g/cm3; (19)Flash Point: 134.684 °C; (20)Enthalpy of Vaporization: 63.203 kJ/mol; (21)Boiling Point: 383.484 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)c1cc(c(cc1[N+](=O)[O-])OC(=O)OC)C(C)(C)C
(2)Std. InChI: InChI=1S/C16H23NO5/c1-15(2,3)10-8-11(16(4,5)6)13(22-14(18)21-7)9-12(10)17(19)20/h8-9H,1-7H3
(3)Std. InChIKey: QBDLLAFFRJOLHZ-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 873055-55-1