127903-20-2|(9H-Fluoren-9-yl)methyl (6-hydroxyhexyl)carbamate| Ambeed

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Quality Control of [ 127903-20-2 ] Purity: 97% SDS Specification

COA

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NMR

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CNMR

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Product Details of [ 127903-20-2 ]

CAS No. :	127903-20-2
Formula :	C₂₁H₂₅NO₃
M.W :	339.43
SMILES Code :	OCCCCCCNC(OCC1C2=CC=CC=C2C3=CC=CC=C13)=O
MDL No. :	MFCD00380196
InChI Key :	VGXOJZUTHIGHPT-UHFFFAOYSA-N
Pubchem ID :	2736486

Safety of [ 127903-20-2 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319-H335
Precautionary Statements:	P261-P280-P301+P312-P302+P352-P305+P351+P338

Computational Chemistry of [ 127903-20-2 ] Show Less

Physicochemical Properties

Num. heavy atoms	25
Num. arom. heavy atoms	12
Fraction Csp3	0.38
Num. rotatable bonds	10
Num. H-bond acceptors	3.0
Num. H-bond donors	2.0
Molar Refractivity	98.98
TPSA ? Topological Polar Surface Area: Calculated from Ertl P. et al. 2000 J. Med. Chem.	58.56 Å²

Lipophilicity

Log P_o/w (iLOGP)? iLOGP: in-house physics-based method implemented from Daina A et al. 2014 J. Chem. Inf. Model.	3.6
Log P_o/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by XLOGP program, version 3.2.2, courtesy of CCBG, Shanghai Institute of Organic Chemistry	3.8
Log P_o/w (WLOGP)? WLOGP: Atomistic method implemented from Wildman SA and Crippen GM. 1999 J. Chem. Inf. Model.	4.08
Log P_o/w (MLOGP)? MLOGP: Topological method implemented from Moriguchi I. et al. 1992 Chem. Pharm. Bull. Moriguchi I. et al. 1994 Chem. Pharm. Bull. Lipinski PA. et al. 2001 Adv. Drug. Deliv. Rev.	3.1
Log P_o/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com	4.34
Consensus Log P_o/w? Consensus Log P_o/w: Average of all five predictions	3.78

Water Solubility

Log S (ESOL):? ESOL: Topological method implemented from Delaney JS. 2004 J. Chem. Inf. Model.	-4.03
Solubility	0.0314 mg/ml ; 0.0000925 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Moderately soluble
Log S (Ali)? Ali: Topological method implemented from Ali J. et al. 2012 J. Chem. Inf. Model.	-4.72
Solubility	0.00641 mg/ml ; 0.0000189 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Moderately soluble
Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com	-6.92
Solubility	0.0000406 mg/ml ; 0.00000012 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Poorly soluble

Pharmacokinetics

GI absorption? Gatrointestinal absorption: according to the white of the BOILED-Egg	High
BBB permeant? BBB permeation: according to the yolk of the BOILED-Egg	Yes
P-gp substrate? P-glycoprotein substrate: SVM model built on 1033 molecules (training set) and tested on 415 molecules (test set) 10-fold CV: ACC=0.72 / AUC=0.77 External: ACC=0.88 / AUC=0.94	Yes
CYP1A2 inhibitor? Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set) and tested on 3000 molecules (test set) 10-fold CV: ACC=0.83 / AUC=0.90 External: ACC=0.84 / AUC=0.91	No
CYP2C19 inhibitor? Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set) and tested on 3000 molecules (test set) 10-fold CV: ACC=0.80 / AUC=0.86 External: ACC=0.80 / AUC=0.87	Yes
CYP2C9 inhibitor? Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set) and tested on 2075 molecules (test set) 10-fold CV: ACC=0.78 / AUC=0.85 External: ACC=0.71 / AUC=0.81	Yes
CYP2D6 inhibitor? Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set) and tested on 1068 molecules (test set) 10-fold CV: ACC=0.79 / AUC=0.85 External: ACC=0.81 / AUC=0.87	Yes
CYP3A4 inhibitor? Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set) and tested on 2579 molecules (test set) 10-fold CV: ACC=0.77 / AUC=0.85 External: ACC=0.78 / AUC=0.86	Yes
Log Kp (skin permeation)? Skin permeation: QSPR model implemented from Potts RO and Guy RH. 1992 Pharm. Res.	-5.67 cm/s

Druglikeness

Lipinski? Lipinski (Pfizer) filter: implemented from Lipinski CA. et al. 2001 Adv. Drug Deliv. Rev. MW ≤ 500 MLOGP ≤ 4.15 N or O ≤ 10 NH or OH ≤ 5	0.0
Ghose? Ghose filter: implemented from Ghose AK. et al. 1999 J. Comb. Chem. 160 ≤ MW ≤ 480 -0.4 ≤ WLOGP ≤ 5.6 40 ≤ MR ≤ 130 20 ≤ atoms ≤ 70	None
Veber? Veber (GSK) filter: implemented from Veber DF. et al. 2002 J. Med. Chem. Rotatable bonds ≤ 10 TPSA ≤ 140	0.0
Egan? Egan (Pharmacia) filter: implemented from Egan WJ. et al. 2000 J. Med. Chem. WLOGP ≤ 5.88 TPSA ≤ 131.6	0.0
Muegge? Muegge (Bayer) filter: implemented from Muegge I. et al. 2001 J. Med. Chem. 200 ≤ MW ≤ 600 -2 ≤ XLOGP ≤ 5 TPSA ≤ 150 Num. rings ≤ 7 Num. carbon > 4 Num. heteroatoms > 1 Num. rotatable bonds ≤ 15 H-bond acc. ≤ 10 H-bond don. ≤ 5	0.0
Bioavailability Score? Abbott Bioavailability Score: Probability of F > 10% in rat implemented from Martin YC. 2005 J. Med. Chem.	0.55

Medicinal Chemistry

PAINS? Pan Assay Interference Structures: implemented from Baell JB. & Holloway GA. 2010 J. Med. Chem.	0.0 alert
Brenk? Structural Alert: implemented from Brenk R. et al. 2008 ChemMedChem	0.0 alert: heavy_metal
Leadlikeness? Leadlikeness: implemented from Teague SJ. 1999 Angew. Chem. Int. Ed. 250 ≤ MW ≤ 350 XLOGP ≤ 3.5 Num. rotatable bonds ≤ 7	No; 1 violation:MW<2.0
Synthetic accessibility? Synthetic accessibility score: from 1 (very easy) to 10 (very difficult) based on 1024 fragmental contributions (FP2) modulated by size and complexity penaties, trained on 12'782'590 molecules and tested on 40 external molecules (r² = 0.94)	3.59

Application In Synthesis of [ 127903-20-2 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 127903-20-2 ]

[ 127903-20-2 ] Synthesis Path-Downstream 1~35

1
[ 51747-24-1 ]
[ 127903-20-2 ]
[ 128745-89-1 ]

References: [1]Tetrahedron Letters,1989,vol. 30,p. 7025 - 7028.

2
[ 127903-20-2 ]
[ 166108-25-4 ]
Acetic acid (2R,3R,4R,5R,6R)-2-acetoxymethyl-5-azido-6-[6-(9H-fluoren-9-ylmethoxycarbonylamino)-hexyloxy]-4-((2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-3-yl ester [ No CAS ]
[ 189108-72-3 ]

References: [1]Carbohydrate Research,1997,vol. 298,p. 153 - 161.

3
[ 524-38-9 ]
[ 127903-20-2 ]
[ 209115-36-6 ]

References: [1]Synthesis,1998,p. 859 - 866.

4
[ 4048-33-3 ]
[ 28920-43-6 ]
[ 127903-20-2 ]

Yield	Reaction Conditions	Operation in experiment
98%	With sodium carbonate; In 1,4-dioxane; at 0 - 25℃; for 12h;	1) Dissolve 5.3 g of fluorenyl methoxycarbonyl chloride in 40 mL of 1,4-dioxane, Add 2g of 6-amino-1-hexanol at 0C, Fully dissolve, then slowly add 20mL of 10% Na2CO3 solution, Reaction at 25 for 12h, The product was extracted with methanol-dichloromethane (methanol, dichloromethane volume ratio 1:19), Combine the organic phases, spin dry the solvent on a rotary evaporator, Use a mixed solvent (consisting of dichloromethane, ethyl acetate and petroleum ether in a volume ratio of 1:3:6) Obtained (yield: 98%);
97%	With sodium carbonate; In 1,4-dioxane; water; at 0 - 20℃; for 1h;	Fmoc-6-aminohexanol (3). 6-Amino-hexan-1-ol (1.5 g, 12 mmol) was added to a vigorously stirred solution of Na2CO3 in H2O at 0 C. Dioxane (30 mL) was added, providing an opaque mixture. A solution of FmocCl, in dioxane (36 mL) was added dropwise at 0 C. The mixture was then allowed to warm to room temperature and was stirred for 1 hour. AcOEt (300 mL) was added, followed by HCl 0.1M (200 mL). The organic layer was washed with H2O (200 mL) and brine (50 mL), then dried over Na2SO4, filtered and concentrated. The crude product was purified by flash chromatography (CH2Cl2/MeOH, 97:3 to 90:10) to afford 3 as a white solid (3.95 g, 97%).

References: [1]Patent: CN111909197,2020,A .Location in patent: Paragraph 0055-0057; 0125.
[2]Patent: US9364554,2016,B2 .Location in patent: Page/Page column 90-92.
[3]Journal of Organic Chemistry,2007,vol. 72,p. 7222 - 7228.
[4]Chinese Chemical Letters,2012,vol. 23,p. 923 - 926.
[5]Synthesis,1998,p. 859 - 866.
[6]Journal of Medicinal Chemistry,2020,vol. 63,p. 6774 - 6783.

5
[ 127903-20-2 ]
[ 290308-57-5 ]
[ 290308-58-6 ]

References: [1]Synlett,2000,p. 797 - 800.

6
[ 61198-91-2 ]
[ 127903-20-2 ]
6-N-(9-fluorenylmethoxycarbonyl)aminohexyl (2,3,4,6-tetra-O-benzoyl-β-D-galactopyranosyl)-(1->4)-2,3,6-tri-O-benzoyl-β-D-glucopyranoside [ No CAS ]

References: [1]Organic Letters,2004,vol. 6,p. 3457 - 3460.

7
[ 4048-33-3 ]
[ 82911-69-1 ]
[ 127903-20-2 ]

References: [1]Journal of the American Chemical Society,2002,vol. 124,p. 4180 - 4181.
[2]Journal of the American Chemical Society,2005,vol. 127,p. 10667 - 10675.
[3]Chemistry - A European Journal,2012,vol. 18,p. 12681 - 12689.

8
[ 127903-20-2 ]
[ 228715-38-6 ]

Yield	Reaction Conditions	Operation in experiment
85%	With sulfur trioxide pyridine complex;	[4699] The title compound was prepared from 1 g (2.95mmol) of commercially available 9H-fluoren-9-ylmethyl-(6-hydroxyhexyl)carbamate under standard conditions, by oxidationwith sulphur trioxide-pyridine complex. 840 mg (85%of theory) of the title compound were obtained.[4700] HPLC (Method 12): R,=2.0 min;[4701] LC-MS (Method 1): R,=l.l min; MS (ESipos):rnlz=338 (M+Hr.
46%	With tetrapropylammonium perruthenate; 4-methylmorpholine N-oxide; In dichloromethane; at 20℃; for 1h;	4. To a solution of 3 (200 mg, 0.589 mmol) in DCM (7 mL) was added NMO (142 mg, 1.179 mmol), followed by TPAP (10 mg, 0.029 mmol). The reaction was stirred at room temperature for 1 hour. The solvent was removed under reduced pressure. The crude product was purified by filtration through a pad of silica gel (CH2Cl2/MeOH, 95:5) to afford 4 as a white solid (91 mg, 46%).

References: [1]Patent: US2015/246136,2015,A1 .Location in patent: Paragraph 4698-4701.
[2]Journal of the American Chemical Society,2002,vol. 124,p. 4180 - 4181.
[3]Patent: US9364554,2016,B2 .Location in patent: Page/Page column 90; 92.
[4]Journal of the American Chemical Society,2005,vol. 127,p. 10667 - 10675.
[5]Journal of Organic Chemistry,2007,vol. 72,p. 7222 - 7228.
[6]Journal of Medicinal Chemistry,2007,vol. 50,p. 6133 - 6143.
[7]Chemistry - A European Journal,2012,vol. 18,p. 12681 - 12689.
[8]Journal of Medicinal Chemistry,2020,vol. 63,p. 6774 - 6783.

9
C₄₁H₄₁O₄N [ No CAS ]
[ 127903-20-2 ]

References: [1]Russian Journal of Bioorganic Chemistry,2005,vol. 31,p. 352 - 356.

10
[ 127903-20-2 ]
N-(9-fluorenylmethoxycarbonyl)-6-aminohexyl triphosphate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		[0261] Synthesis of Fmoc-6-aminohexyltriphosphate: <strong>[127903-20-2]Fmoc-6-aminohexanol</strong> (lg, 2.94 mmol) is coevaporated with anhydrous acetonitrile (2 x 20 ml) and then dissolved in triethyphosphate (10 ml).Phosphorous oxychloride (550 p1, 5.88 mmol) is added to this solution once cooled and stirred for 2 hours. To the reaction mixture, tributylamrnoniurn pyrophosphate (5 equivalents, 15 mniol, 0.5 M solution in anhydrous DMF) is added and stirred for 20 minutes. The solution is quenched with 0.1 M triethylammonium bicarbonate buffer (200 ml, pH 7.5) and adjusted to pH -7.[0262] This solution is loaded on a Sephadex A-25 column and purified using 0.1 M to 1.0 M TEAB buffer(pH 7.0) gradient. The appropriate fractions are pooled and further purified on HPLC to provide puretriphosphate, 31P-NMR (D20) -10,5 (d, 2P), -22.84 (t, 1P).
		The azide-linker-modified nucleoside hexaphosphate of compound (2) (dT6P-N3) is prepared following the general reaction scheme depicted in FIG. 1. This general reaction scheme can be used for modifying any nucleosidehexaphosphate compound, dN6P, with a hexylamine linker and an azide group.Briefly, 6-Fmoc-aminohexanol (ig, 2.94 mmol) (1 in FIG. 1) is coevaporated with anhydrous acetonitrile (2x 20 ml) and then dissolved in triethyl phosphate (10 ml). To this cooled and stirred solution is added fresh, distilled phosphorous oxychloride (550 p1, 5.88 mmol) and the mixture is stirred for 2 hr at 0C. Tributylammonium pyrophosphate (5 eq., 15 mmol, 0.5 M solution in anhydrousDMF) and tributylamine (15 mmol) is added and this mixture stirred for 20 mm.The solution is quenched with 0.1 M triethylammonium bicarbonate buffer (TEAB,200 ml, pH7.5) and adjusted to pH -7. This solution is loaded on a Sephadex A25 column and eluted using 0.1 M to 1.0 M TEAB buffer (pH 7.0) gradient. Theappropriate fractions are collected, pooled, and further purified on reverse phaseHPLC on SupelcosilTM LC-18-T (Supelco) 3 pM, 15 cm X 4.6 mm. (HPLC parameters: Mobile phase: A, 8.6 mM Et3N, 100 mM HFIP in water at pH 8.1; B,100% methanol. Started from 100% A 0% B to 0% A 100% B in 40 minutes.)The pure triphosphate, 31P-NMR (D20) exhibits following shifts: 6: -7.68 (d, 1P), -10.5 (d, 1P), -22.65 (t, 1P). The Fmoc-aminohexyltriphosphate produced (200 mg,0.35 mmol) (2 in FIG. 1) is coevaporated with anhydrous acetonitrile (2X 10 ml) and then dissolved in anhydrous DMF (3 ml). CDI (4 eq., 1.4 mmol) is added and the solution stirred at room temperature for 4 h. Methanol (6 eq., 85 p1) is added with further stirring for 30 mm. To the above product (3), a solution of the desired 2’-deoxynucleoside-5’-triphosphate (dNTP, tributylammonium salt, 0.5 mmol) inDMF and MgCI2 (10 equivalents, 3.5 mmol) is added. This reaction mixture is stirred for 18 h followed by the addition of 10% triethylamine in water (25 ml) to hydrolyze the Fmoc group and yield the desired linker-modified nucleotide hexaphosphate compound, dN6P-NH2 (4-7 in FIG. 1). The reaction mixture is stirred further for 16 h and the precipitated solid is filtered and the solutionextracted with ether. The aqueous layer is concentrated and purified on reverse phase HPLC (SupelcosilTM LC-C18-T (Sulpelco) 3.0 pm particle size, 15 cm X 4.6 mm) using the following parameters: 100% A 0% B in 4 mm, then linear gradient change to 70% A 30% B for 30 minutes, and finally 0% A and 100% B for another 45 mm at room temperature at a flow rate of 1 mI/mm; mobile phase: A, 0.1 MTEAA; B, 100% ACN). The dN6P-NH2 product can be characterized by 31P-NMR based on the following shifts: 6-10.63 (bs, 1P), -11.65 (bs, 1P), -23.35 (bm. 4P). MALDI-TOF MS for the four commonly used linker-modified dN6P compounds:dA6P-NH2: 832.02 (calculated 829); dT6P-NH2: 825.97 (calculated 820); dG6P-NH2: 848.33 (calculated 845); dC6P-NH2: 826.08 (calculated 828.0).

References: [1]Russian Journal of Bioorganic Chemistry,2005,vol. 31,p. 352 - 356.
[2]Patent: WO2015/148402,2015,A1 .Location in patent: Paragraph 0260; 0261; 0262.
[3]Patent: WO2017/42038,2017,A1 .Location in patent: Paragraph 0140; 0141.
[4]Patent: CN111909197,2020,A .

11
[ 127903-20-2 ]
[ 952661-18-6 ]

References: [1]Journal of Organic Chemistry,2007,vol. 72,p. 7222 - 7228.

12
[ 127903-20-2 ]
3-((1-adamantyloxy){1-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-azepanyl}phosphoryl)-2-benzylpropanoic acid [ No CAS ]

References: [1]Journal of Organic Chemistry,2007,vol. 72,p. 7222 - 7228.

13
[ 127903-20-2 ]
[ 952661-13-1 ]

References: [1]Journal of Organic Chemistry,2007,vol. 72,p. 7222 - 7228.

14
[ 127903-20-2 ]
C₂₉H₃₀NPO₆C₂H₄(C₈H₆O)2 [ No CAS ]

References: [1]Journal of Organic Chemistry,2007,vol. 72,p. 7222 - 7228.

15
[ 127903-20-2 ]
C₄₀H₄₆NPO₆C₈H₆OCH₂ [ No CAS ]

References: [1]Journal of Organic Chemistry,2007,vol. 72,p. 7222 - 7228.

16
C₂₇H₃₂O₅S [ No CAS ]
[ 127903-20-2 ]

References: [1]Russian Journal of Bioorganic Chemistry,2005,vol. 31,p. 352 - 356.

17
C₂₆H₂₉O₂N₃ [ No CAS ]
[ 127903-20-2 ]

References: [1]Russian Journal of Bioorganic Chemistry,2005,vol. 31,p. 352 - 356.

18
C₂₆H₃₁O₂N [ No CAS ]
[ 127903-20-2 ]

References: [1]Russian Journal of Bioorganic Chemistry,2005,vol. 31,p. 352 - 356.

19
[ 629-11-8 ]
[ 127903-20-2 ]

References: [1]Russian Journal of Bioorganic Chemistry,2005,vol. 31,p. 352 - 356.

20
[ 742103-41-9 ]
[ 127903-20-2 ]

References: [1]Russian Journal of Bioorganic Chemistry,2005,vol. 31,p. 352 - 356.

21
[ 127903-20-2 ]
C₅₄H₈₆N₂O₁₅ [ No CAS ]

References: [1]Journal of the American Chemical Society,2005,vol. 127,p. 10667 - 10675.

22
[ 127903-20-2 ]
33-[4-(6-amino-hexylamino)-3,5-dihydroxy-6-methyl-tetrahydro-pyran-2-yloxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14-oxa-bicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid [ No CAS ]

References: [1]Journal of the American Chemical Society,2005,vol. 127,p. 10667 - 10675.

23
[ 127903-20-2 ]
C₆₉H₉₆N₂O₁₈ [ No CAS ]

References: [1]Journal of the American Chemical Society,2005,vol. 127,p. 10667 - 10675.

24
[ 127903-20-2 ]
33-{4-[6-(9<i>H</i>-fluoren-9-ylmethoxycarbonylamino)-hexylamino]-3,5-dihydroxy-6-methyl-tetrahydro-pyran-2-yloxy}-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14-oxa-bicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid [ No CAS ]

References: [1]Journal of the American Chemical Society,2005,vol. 127,p. 10667 - 10675.

25
[ 127903-20-2 ]
[ 432546-41-3 ]

References: [1]Journal of the American Chemical Society,2002,vol. 124,p. 4180 - 4181.

26
[ 127903-20-2 ]
C₆₈H₉₄N₂O₁₉ [ No CAS ]

References: [1]Journal of the American Chemical Society,2002,vol. 124,p. 4180 - 4181.

27
[ 127903-20-2 ]
[ 432546-40-2 ]

References: [1]Journal of the American Chemical Society,2002,vol. 124,p. 4180 - 4181.

28
[ 127903-20-2 ]
Acetic acid (2R,3R,4R,5R,6S)-2-acetoxymethyl-5-amino-6-[6-(9H-fluoren-9-ylmethoxycarbonylamino)-hexyloxy]-4-((2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-3-yl ester [ No CAS ]

References: [1]Carbohydrate Research,1997,vol. 298,p. 153 - 161.

29
[ 127903-20-2 ]
[ 189108-76-7 ]

References: [1]Carbohydrate Research,1997,vol. 298,p. 153 - 161.

30
[ 127903-20-2 ]
C₃₀H₅₂N₄O₁₃S [ No CAS ]

References: [1]Carbohydrate Research,1997,vol. 298,p. 153 - 161.

31
[ 127903-20-2 ]
Acetic acid (2R,3R,4R,5R,6S)-2-acetoxymethyl-5-acetylamino-6-(6-amino-hexyloxy)-4-((2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-3-yl ester [ No CAS ]

References: [1]Carbohydrate Research,1997,vol. 298,p. 153 - 161.

32
[ 127903-20-2 ]
C₄₂H₆₄N₄O₁₉S [ No CAS ]

References: [1]Carbohydrate Research,1997,vol. 298,p. 153 - 161.

33
[ 88574-06-5 ]
[ 127903-20-2 ]

References: [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 6133 - 6143.

34
[ 19120-62-8 ]
[ 127903-20-2 ]
[ 134939-09-6 ]

References: [1]Chemische Berichte,1991,vol. 124,p. 2249 - 2254.

35
[ 68114-30-7 ]
[ 127903-20-2 ]
[ 134939-08-5 ]

References: [1]Chemische Berichte,1991,vol. 124,p. 2249 - 2254.

Historical Records

Technical Information

• Acyl Group Substitution • Appel Reaction • Bouveault-Blanc Reduction • Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions • Catalytic Hydrogenation • Chan-Lam Coupling Reaction • Chugaev Reaction • Complex Metal Hydride Reductions • Corey-Kim Oxidation • Dess-Martin Oxidation • Ester Cleavage • Hydride Reductions • Jones Oxidation • Lawesson's Reagent • Leuckart-Wallach Reaction • Mannich Reaction • Martin's Sulfurane Dehydrating Reagent • Mitsunobu Reaction • Moffatt Oxidation • Oxidation of Alcohols by DMSO • Petasis Reaction • Preparation of Alcohols • Preparation of Amines • Reactions of Alcohols • Reactions of Amines • Reactions with Organometallic Reagents • Ritter Reaction • Sharpless Olefin Synthesis • Specialized Acylation Reagents-Carbodiimides and Related Reagents • Specialized Acylation Reagents-Ketenes • Specialized Acylation Reagents-Vilsmeier Reagent • Swern Oxidation • Ugi Reaction

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[ 127903-20-2 ]

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A441360 [945923-91-1]

(9H-Fluoren-9-yl)methyl (6-aminohexyl)carbamate hydrochloride

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Amines

A924093 [118119-32-7]

(9H-Fluoren-9-yl)methyl (5-aminopentyl)carbamate

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A731483 [209115-32-2]

(9H-Fluoren-9-yl)methyl (4-hydroxybutyl)carbamate

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A528952 [296247-94-4]

Bis((9H-fluoren-9-yl)methyl) hexane-1,6-diyldicarbamate

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A641180 [147190-31-6]

(9H-Fluoren-9-yl)methyl (6-hydroxy-5-(hydroxymethyl)hexyl)carbamate

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A441360 [945923-91-1]

(9H-Fluoren-9-yl)methyl (6-aminohexyl)carbamate hydrochloride

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Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

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CAS No.: 127903-20-2

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