CAS No.239088-22-3,(9H-Fluoren-9-yl)methyl decyl(2-oxoethyl)carbamate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	239088-22-3
Name:	(9H-Fluoren-9-yl)methyl decyl(2-oxoethyl)carbamate
Article Data:	11

Formula:	C₂₇H₃₅NO₃
Molecular Weight:	421.58
Synonyms:	(9H-Fluoren-9-yl)methyl decyl(2-oxoethyl)carbamate;2-[N-(9-FluorenylMethoxycarbonyl)-N-decylaMino]ethanal;Decyl(2-oxoethyl)-carbaMic Acid 9H-Fluoren-9-ylMethyl Ester;N-Decyl-N-(2-oxoethyl)-9H-fluoren-9-ylMethyl Ester
Density:	1.075 g/cm³
Boiling Point:	550.59 °C at 760 mmHg
Flash Point:	286.787 °C
PSA:	46.61000
LogP:	6.57710

Synthetic route

: C41H49N3O2

: 239088-22-3
N-decyl-N-(2-oxoethyl)carbamic acid 9H-fluoren-9-ylmethyl ester

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In tetrahydrofuran at 15 - 20℃; for 0.5h;	95%

: 239088-19-8
N-(9-fluorenylmethoxycarbonyl)-N-n-decylaminoethanol

: 239088-22-3
N-decyl-N-(2-oxoethyl)carbamic acid 9H-fluoren-9-ylmethyl ester

Conditions

Conditions	Yield
With sodium hypochlorite solution; 2,2,6,6-tetramethylpiperidin-1-ol; sodium hydrogencarbonate; potassium bromide In dichloromethane; water at -5℃; pH=8.5;	92.4%
Stage #1: N-(9-fluorenylmethoxycarbonyl)-N-n-decylaminoethanol With N-ethyl-N,N-diisopropylamine In dichloromethane at -5℃; for 0.25h; Stage #2: With sulfur trioxide pyridine complex; dimethyl sulfoxide In dichloromethane at -5℃; for 0.5h;	90%
Stage #1: N-(9-fluorenylmethoxycarbonyl)-N-n-decylaminoethanol With N-ethyl-N,N-diisopropylamine In dichloromethane at -5℃; for 0.0833333h; Stage #2: With pyridine; sulfur trioxide In dichloromethane; dimethyl sulfoxide at -5℃; for 0.5h;

: 1260529-12-1
C29H41NO4

: 239088-22-3
N-decyl-N-(2-oxoethyl)carbamic acid 9H-fluoren-9-ylmethyl ester

Conditions

Conditions	Yield
With hydrogenchloride In dichloromethane at -10 - 30℃;	82.2%
With formic acid at 20℃; for 4h;
Multi-step reaction with 2 steps 1.1: formic acid / toluene / 4 h / 20 °C 1.2: 1 h 2.1: toluene-4-sulfonic acid / tetrahydrofuran / 0.5 h / 15 - 20 °C View Scheme

: N-FMOC-N-allyldecylamine

: 239088-22-3
N-decyl-N-(2-oxoethyl)carbamic acid 9H-fluoren-9-ylmethyl ester

Conditions

Conditions	Yield
Stage #1: N-FMOC-N-allyldecylamine With ozone In methanol; dichloromethane; oxygen at -65 - -55℃; for 2.5h; Stage #2: With triethylamine In methanol; dichloromethane at -55 - 21℃; for 3h; Stage #3: With hydrogenchloride; water In methanol; dichloromethane	61%

: 79-37-8
oxalyl dichloride

: 239088-19-8
N-(9-fluorenylmethoxycarbonyl)-N-n-decylaminoethanol

: 239088-22-3
N-decyl-N-(2-oxoethyl)carbamic acid 9H-fluoren-9-ylmethyl ester

Conditions

Conditions	Yield
With sulfuric acid; triethylamine In n-heptane; dichloromethane; water; dimethyl sulfoxide
With sulfuric acid; triethylamine In n-heptane; dichloromethane; water; dimethyl sulfoxide

: 112-31-2
caprinaldehyde

: 239088-22-3
N-decyl-N-(2-oxoethyl)carbamic acid 9H-fluoren-9-ylmethyl ester

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: butan-1-ol / 60 °C 2.1: hydrogen / platinum on activated charcoal / butan-1-ol; water / 48 h / 50 °C / 2280.15 Torr 3.1: sodium hydroxide / toluene; water / 0.08 - 0.17 h / 0 - 5 °C 3.2: 0.92 h / 0 - 5 °C 4.1: formic acid / 4 h / 20 °C View Scheme
Multi-step reaction with 5 steps 1.1: butan-1-ol / 60 °C 2.1: hydrogen / platinum on activated charcoal / butan-1-ol; water / 48 h / 50 °C / 2280.15 Torr 3.1: sodium hydroxide / toluene; water / 0.08 - 0.17 h / 0 - 5 °C 3.2: 0.92 h / 0 - 5 °C 4.1: formic acid / toluene / 4 h / 20 °C 4.2: 1 h 5.1: toluene-4-sulfonic acid / tetrahydrofuran / 0.5 h / 15 - 20 °C View Scheme
Multi-step reaction with 5 steps 1: butan-1-ol / 60 °C 2: hydrogen / platinum on activated charcoal / butan-1-ol; water / 48 h / 50 °C / 2280.15 Torr 3: toluene / 40 - 50 °C 4: sodium hydroxide / toluene; water / 1.17 h / 0 - 5 °C 5: formic acid / 4 h / 20 °C View Scheme
Multi-step reaction with 6 steps 1.1: butan-1-ol / 60 °C 2.1: hydrogen / platinum on activated charcoal / butan-1-ol; water / 48 h / 50 °C / 2280.15 Torr 3.1: toluene / 40 - 50 °C 4.1: sodium hydroxide / toluene; water / 1.17 h / 0 - 5 °C 5.1: formic acid / toluene / 4 h / 20 °C 5.2: 1 h 6.1: toluene-4-sulfonic acid / tetrahydrofuran / 0.5 h / 15 - 20 °C View Scheme
Multi-step reaction with 3 steps 1: 5%-palladium/activated carbon; hydrogen / methanol / 20 - 100 °C / 3750.38 Torr 2: N-ethyl-N,N-diisopropylamine / dichloromethane / -20 - 30 °C 3: hydrogenchloride / dichloromethane / -10 - 30 °C View Scheme

: 2016-57-1
1-aminodecane

: 239088-22-3
N-decyl-N-(2-oxoethyl)carbamic acid 9H-fluoren-9-ylmethyl ester

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: butan-1-ol; water / 60 °C 2.1: hydrogen / platinum on activated charcoal / butan-1-ol; water / 16 h / 50 °C 3.1: sodium hydroxide / toluene; water / 0.08 - 0.17 h / 0 - 5 °C 3.2: 0.92 h / 0 - 5 °C 4.1: formic acid / 4 h / 20 °C View Scheme
Multi-step reaction with 3 steps 1.1: hydrogen / 5% Pd(II)/C(eggshell) / methanol / 3.5 h / 50 °C / 3750.38 Torr 2.1: sodium hydroxide / toluene; water / 0.08 - 0.17 h / 0 - 5 °C 2.2: 0.92 h / 0 - 5 °C 3.1: formic acid / 4 h / 20 °C View Scheme
Multi-step reaction with 4 steps 1.1: hydrogen / 5% Pd(II)/C(eggshell) / methanol / 3.5 h / 50 °C / 3750.38 Torr 2.1: sodium hydroxide / toluene; water / 0.08 - 0.17 h / 0 - 5 °C 2.2: 0.92 h / 0 - 5 °C 3.1: formic acid / toluene / 4 h / 20 °C 3.2: 1 h 4.1: toluene-4-sulfonic acid / tetrahydrofuran / 0.5 h / 15 - 20 °C View Scheme

: 1260529-14-3
C7H8O3S*C14H31NO2

: 239088-22-3
N-decyl-N-(2-oxoethyl)carbamic acid 9H-fluoren-9-ylmethyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium hydroxide / toluene; water / 1.17 h / 0 - 5 °C 2: formic acid / 4 h / 20 °C View Scheme
Multi-step reaction with 3 steps 1.1: sodium hydroxide / toluene; water / 1.17 h / 0 - 5 °C 2.1: formic acid / toluene / 4 h / 20 °C 2.2: 1 h 3.1: toluene-4-sulfonic acid / tetrahydrofuran / 0.5 h / 15 - 20 °C View Scheme

: C14H29NO2

: 239088-22-3
N-decyl-N-(2-oxoethyl)carbamic acid 9H-fluoren-9-ylmethyl ester

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: hydrogen / platinum on activated charcoal / butan-1-ol; water / 48 h / 50 °C / 2280.15 Torr 2.1: sodium hydroxide / toluene; water / 0.08 - 0.17 h / 0 - 5 °C 2.2: 0.92 h / 0 - 5 °C 3.1: formic acid / 4 h / 20 °C View Scheme
Multi-step reaction with 4 steps 1.1: hydrogen / platinum on activated charcoal / butan-1-ol; water / 48 h / 50 °C / 2280.15 Torr 2.1: sodium hydroxide / toluene; water / 0.08 - 0.17 h / 0 - 5 °C 2.2: 0.92 h / 0 - 5 °C 3.1: formic acid / toluene / 4 h / 20 °C 3.2: 1 h 4.1: toluene-4-sulfonic acid / tetrahydrofuran / 0.5 h / 15 - 20 °C View Scheme
Multi-step reaction with 4 steps 1: hydrogen / platinum on activated charcoal / butan-1-ol; water / 48 h / 50 °C / 2280.15 Torr 2: toluene / 40 - 50 °C 3: sodium hydroxide / toluene; water / 1.17 h / 0 - 5 °C 4: formic acid / 4 h / 20 °C View Scheme
Multi-step reaction with 5 steps 1.1: hydrogen / platinum on activated charcoal / butan-1-ol; water / 48 h / 50 °C / 2280.15 Torr 2.1: toluene / 40 - 50 °C 3.1: sodium hydroxide / toluene; water / 1.17 h / 0 - 5 °C 4.1: formic acid / toluene / 4 h / 20 °C 4.2: 1 h 5.1: toluene-4-sulfonic acid / tetrahydrofuran / 0.5 h / 15 - 20 °C View Scheme

: 72816-68-3
decylaminoethanal dimethylacetal

: 239088-22-3
N-decyl-N-(2-oxoethyl)carbamic acid 9H-fluoren-9-ylmethyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: sodium hydroxide / toluene; water / 0.08 - 0.17 h / 0 - 5 °C 1.2: 0.92 h / 0 - 5 °C 2.1: formic acid / 4 h / 20 °C View Scheme
Multi-step reaction with 3 steps 1.1: sodium hydroxide / toluene; water / 0.08 - 0.17 h / 0 - 5 °C 1.2: 0.92 h / 0 - 5 °C 2.1: formic acid / toluene / 4 h / 20 °C 2.2: 1 h 3.1: toluene-4-sulfonic acid / tetrahydrofuran / 0.5 h / 15 - 20 °C View Scheme
Multi-step reaction with 3 steps 1: toluene / 40 - 50 °C 2: sodium hydroxide / toluene; water / 1.17 h / 0 - 5 °C 3: formic acid / 4 h / 20 °C View Scheme
Multi-step reaction with 4 steps 1.1: toluene / 40 - 50 °C 2.1: sodium hydroxide / toluene; water / 1.17 h / 0 - 5 °C 3.1: formic acid / toluene / 4 h / 20 °C 3.2: 1 h 4.1: toluene-4-sulfonic acid / tetrahydrofuran / 0.5 h / 15 - 20 °C View Scheme

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Specification

The Carbamic acid,decyl(2-oxoethyl)-, 9H-fluoren-9-ylmethyl ester (9CI) is an organic compound with the formula C₂₇H₃₅NO₃. The systematic name of this chemical is 9H-fluoren-9-ylmethyl decyl(2-oxoethyl)carbamate. With the CAS registry number 239088-22-3, it is also named as carbamic acid, N-decyl-N-(2-oxoethyl)-, 9H-fluoren-9-ylmethyl ester.

Physical properties about Carbamic acid,decyl(2-oxoethyl)-, 9H-fluoren-9-ylmethyl ester (9CI) are: (1)ACD/LogP: 8.18; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9; (4)ACD/LogD (pH 7.4): 9; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1130350; (8)ACD/KOC (pH 7.4): 1130350; (9)#H bond acceptors: 4; (10)#Freely Rotating Bonds: 14; (11)Polar Surface Area: 46.61 Å²; (12)Index of Refraction: 1.547; (13)Molar Refractivity: 124.4 cm³; (14)Molar Volume: 392.039 cm³; (15)Polarizability: 49.316×10^-24cm³; (16)Surface Tension: 43.634 dyne/cm; (17)Density: 1.075 g/cm³; (18)Flash Point: 286.787 °C; (19)Enthalpy of Vaporization: 83.07 kJ/mol; (20)Boiling Point: 550.59 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CCN(C(=O)OCC3c1ccccc1c2c3cccc2)CCCCCCCCCC
(2)InChI: InChI=1/C27H35NO3/c1-2-3-4-5-6-7-8-13-18-28(19-20-29)27(30)31-21-26-24-16-11-9-14-22(24)23-15-10-12-17-25(23)26/h9-12,14-17,20,26H,2-8,13,18-19,21H2,1H3
(3)InChIKey: AWGULBUAOMFSCY-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C27H35NO3/c1-2-3-4-5-6-7-8-13-18-28(19-20-29)27(30)31-21-26-24-16-11-9-14-22(24)23-15-10-12-17-25(23)26/h9-12,14-17,20,26H,2-8,13,18-19,21H2,1H3
(5)Std. InChIKey: AWGULBUAOMFSCY-UHFFFAOYSA-N